Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:
Magnetic atoms:
Set of atoms in the unit cell related by symmetry with the magnetic atom Gd1_1:
| Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
| 1 | 0.06250 | 0.81250 | 0.06250 | mx,0,-mx | 4.95000 | 0.00000 | -4.95000 |
| 2 | 0.06250 | 0.18750 | 0.93750 | mx,0,mx | 4.95000 | 0.00000 | 4.95000 |
| 3 | 0.93750 | 0.81250 | 0.93750 | -mx,0,mx | -4.95000 | 0.00000 | 4.95000 |
| 4 | 0.93750 | 0.18750 | 0.06250 | -mx,0,-mx | -4.95000 | 0.00000 | -4.95000 |
| 5 | 0.06250 | 0.06250 | 0.81250 | -mx,mx,0 | -4.95000 | 4.95000 | 0.00000 |
| 6 | 0.81250 | 0.06250 | 0.06250 | 0,-mx,mx | 0.00000 | -4.95000 | 4.95000 |
| 7 | 0.18750 | 0.06250 | 0.93750 | 0,-mx,-mx | 0.00000 | -4.95000 | -4.95000 |
| 8 | 0.93750 | 0.93750 | 0.81250 | mx,-mx,0 | 4.95000 | -4.95000 | 0.00000 |
| 9 | 0.18750 | 0.93750 | 0.06250 | 0,mx,mx | 0.00000 | 4.95000 | 4.95000 |
| 10 | 0.06250 | 0.93750 | 0.18750 | -mx,-mx,0 | -4.95000 | -4.95000 | 0.00000 |
| 11 | 0.81250 | 0.93750 | 0.93750 | 0,mx,-mx | 0.00000 | 4.95000 | -4.95000 |
| 12 | 0.93750 | 0.06250 | 0.18750 | mx,mx,0 | 4.95000 | 4.95000 | 0.00000 |
| (0,1/2,1/2) + set click here to show and hide |
| 13 | 0.06250 | 0.31250 | 0.56250 | mx,0,-mx | 4.95000 | 0.00000 | -4.95000 |
| 14 | 0.06250 | 0.68750 | 0.43750 | mx,0,mx | 4.95000 | 0.00000 | 4.95000 |
| 15 | 0.93750 | 0.31250 | 0.43750 | -mx,0,mx | -4.95000 | 0.00000 | 4.95000 |
| 16 | 0.93750 | 0.68750 | 0.56250 | -mx,0,-mx | -4.95000 | 0.00000 | -4.95000 |
| 17 | 0.06250 | 0.56250 | 0.31250 | -mx,mx,0 | -4.95000 | 4.95000 | 0.00000 |
| 18 | 0.81250 | 0.56250 | 0.56250 | 0,-mx,mx | 0.00000 | -4.95000 | 4.95000 |
| 19 | 0.18750 | 0.56250 | 0.43750 | 0,-mx,-mx | 0.00000 | -4.95000 | -4.95000 |
| 20 | 0.93750 | 0.43750 | 0.31250 | mx,-mx,0 | 4.95000 | -4.95000 | 0.00000 |
| 21 | 0.18750 | 0.43750 | 0.56250 | 0,mx,mx | 0.00000 | 4.95000 | 4.95000 |
| 22 | 0.06250 | 0.43750 | 0.68750 | -mx,-mx,0 | -4.95000 | -4.95000 | 0.00000 |
| 23 | 0.81250 | 0.43750 | 0.43750 | 0,mx,-mx | 0.00000 | 4.95000 | -4.95000 |
| 24 | 0.93750 | 0.56250 | 0.68750 | mx,mx,0 | 4.95000 | 4.95000 | 0.00000 |
| (1/2,0,1/2) + set click here to show and hide |
| 25 | 0.56250 | 0.81250 | 0.56250 | mx,0,-mx | 4.95000 | 0.00000 | -4.95000 |
| 26 | 0.56250 | 0.18750 | 0.43750 | mx,0,mx | 4.95000 | 0.00000 | 4.95000 |
| 27 | 0.43750 | 0.81250 | 0.43750 | -mx,0,mx | -4.95000 | 0.00000 | 4.95000 |
| 28 | 0.43750 | 0.18750 | 0.56250 | -mx,0,-mx | -4.95000 | 0.00000 | -4.95000 |
| 29 | 0.56250 | 0.06250 | 0.31250 | -mx,mx,0 | -4.95000 | 4.95000 | 0.00000 |
| 30 | 0.31250 | 0.06250 | 0.56250 | 0,-mx,mx | 0.00000 | -4.95000 | 4.95000 |
| 31 | 0.68750 | 0.06250 | 0.43750 | 0,-mx,-mx | 0.00000 | -4.95000 | -4.95000 |
| 32 | 0.43750 | 0.93750 | 0.31250 | mx,-mx,0 | 4.95000 | -4.95000 | 0.00000 |
| 33 | 0.68750 | 0.93750 | 0.56250 | 0,mx,mx | 0.00000 | 4.95000 | 4.95000 |
| 34 | 0.56250 | 0.93750 | 0.68750 | -mx,-mx,0 | -4.95000 | -4.95000 | 0.00000 |
| 35 | 0.31250 | 0.93750 | 0.43750 | 0,mx,-mx | 0.00000 | 4.95000 | -4.95000 |
| 36 | 0.43750 | 0.06250 | 0.68750 | mx,mx,0 | 4.95000 | 4.95000 | 0.00000 |
| (1/2,1/2,0) + set click here to show and hide |
| 37 | 0.56250 | 0.31250 | 0.06250 | mx,0,-mx | 4.95000 | 0.00000 | -4.95000 |
| 38 | 0.56250 | 0.68750 | 0.93750 | mx,0,mx | 4.95000 | 0.00000 | 4.95000 |
| 39 | 0.43750 | 0.31250 | 0.93750 | -mx,0,mx | -4.95000 | 0.00000 | 4.95000 |
| 40 | 0.43750 | 0.68750 | 0.06250 | -mx,0,-mx | -4.95000 | 0.00000 | -4.95000 |
| 41 | 0.56250 | 0.56250 | 0.81250 | -mx,mx,0 | -4.95000 | 4.95000 | 0.00000 |
| 42 | 0.31250 | 0.56250 | 0.06250 | 0,-mx,mx | 0.00000 | -4.95000 | 4.95000 |
| 43 | 0.68750 | 0.56250 | 0.93750 | 0,-mx,-mx | 0.00000 | -4.95000 | -4.95000 |
| 44 | 0.43750 | 0.43750 | 0.81250 | mx,-mx,0 | 4.95000 | -4.95000 | 0.00000 |
| 45 | 0.68750 | 0.43750 | 0.06250 | 0,mx,mx | 0.00000 | 4.95000 | 4.95000 |
| 46 | 0.56250 | 0.43750 | 0.18750 | -mx,-mx,0 | -4.95000 | -4.95000 | 0.00000 |
| 47 | 0.31250 | 0.43750 | 0.93750 | 0,mx,-mx | 0.00000 | 4.95000 | -4.95000 |
| 48 | 0.43750 | 0.56250 | 0.18750 | mx,mx,0 | 4.95000 | 4.95000 | 0.00000 |
| (0,0,1/2)' + set click here to show and hide |
| 49 | 0.06250 | 0.81250 | 0.56250 | -mx,0,mx | -4.95000 | 0.00000 | 4.95000 |
| 50 | 0.06250 | 0.18750 | 0.43750 | -mx,0,-mx | -4.95000 | 0.00000 | -4.95000 |
| 51 | 0.93750 | 0.81250 | 0.43750 | mx,0,-mx | 4.95000 | 0.00000 | -4.95000 |
| 52 | 0.93750 | 0.18750 | 0.56250 | mx,0,mx | 4.95000 | 0.00000 | 4.95000 |
| 53 | 0.06250 | 0.06250 | 0.31250 | mx,-mx,0 | 4.95000 | -4.95000 | 0.00000 |
| 54 | 0.81250 | 0.06250 | 0.56250 | 0,mx,-mx | 0.00000 | 4.95000 | -4.95000 |
| 55 | 0.18750 | 0.06250 | 0.43750 | 0,mx,mx | 0.00000 | 4.95000 | 4.95000 |
| 56 | 0.93750 | 0.93750 | 0.31250 | -mx,mx,0 | -4.95000 | 4.95000 | 0.00000 |
| 57 | 0.18750 | 0.93750 | 0.56250 | 0,-mx,-mx | 0.00000 | -4.95000 | -4.95000 |
| 58 | 0.06250 | 0.93750 | 0.68750 | mx,mx,0 | 4.95000 | 4.95000 | 0.00000 |
| 59 | 0.81250 | 0.93750 | 0.43750 | 0,-mx,mx | 0.00000 | -4.95000 | 4.95000 |
| 60 | 0.93750 | 0.06250 | 0.68750 | -mx,-mx,0 | -4.95000 | -4.95000 | 0.00000 |
| (0,1/2,0)' + set click here to show and hide |
| 61 | 0.06250 | 0.31250 | 0.06250 | -mx,0,mx | -4.95000 | 0.00000 | 4.95000 |
| 62 | 0.06250 | 0.68750 | 0.93750 | -mx,0,-mx | -4.95000 | 0.00000 | -4.95000 |
| 63 | 0.93750 | 0.31250 | 0.93750 | mx,0,-mx | 4.95000 | 0.00000 | -4.95000 |
| 64 | 0.93750 | 0.68750 | 0.06250 | mx,0,mx | 4.95000 | 0.00000 | 4.95000 |
| 65 | 0.06250 | 0.56250 | 0.81250 | mx,-mx,0 | 4.95000 | -4.95000 | 0.00000 |
| 66 | 0.81250 | 0.56250 | 0.06250 | 0,mx,-mx | 0.00000 | 4.95000 | -4.95000 |
| 67 | 0.18750 | 0.56250 | 0.93750 | 0,mx,mx | 0.00000 | 4.95000 | 4.95000 |
| 68 | 0.93750 | 0.43750 | 0.81250 | -mx,mx,0 | -4.95000 | 4.95000 | 0.00000 |
| 69 | 0.18750 | 0.43750 | 0.06250 | 0,-mx,-mx | 0.00000 | -4.95000 | -4.95000 |
| 70 | 0.06250 | 0.43750 | 0.18750 | mx,mx,0 | 4.95000 | 4.95000 | 0.00000 |
| 71 | 0.81250 | 0.43750 | 0.93750 | 0,-mx,mx | 0.00000 | -4.95000 | 4.95000 |
| 72 | 0.93750 | 0.56250 | 0.18750 | -mx,-mx,0 | -4.95000 | -4.95000 | 0.00000 |
| (1/2,0,0)' + set click here to show and hide |
| 73 | 0.56250 | 0.81250 | 0.06250 | -mx,0,mx | -4.95000 | 0.00000 | 4.95000 |
| 74 | 0.56250 | 0.18750 | 0.93750 | -mx,0,-mx | -4.95000 | 0.00000 | -4.95000 |
| 75 | 0.43750 | 0.81250 | 0.93750 | mx,0,-mx | 4.95000 | 0.00000 | -4.95000 |
| 76 | 0.43750 | 0.18750 | 0.06250 | mx,0,mx | 4.95000 | 0.00000 | 4.95000 |
| 77 | 0.56250 | 0.06250 | 0.81250 | mx,-mx,0 | 4.95000 | -4.95000 | 0.00000 |
| 78 | 0.31250 | 0.06250 | 0.06250 | 0,mx,-mx | 0.00000 | 4.95000 | -4.95000 |
| 79 | 0.68750 | 0.06250 | 0.93750 | 0,mx,mx | 0.00000 | 4.95000 | 4.95000 |
| 80 | 0.43750 | 0.93750 | 0.81250 | -mx,mx,0 | -4.95000 | 4.95000 | 0.00000 |
| 81 | 0.68750 | 0.93750 | 0.06250 | 0,-mx,-mx | 0.00000 | -4.95000 | -4.95000 |
| 82 | 0.56250 | 0.93750 | 0.18750 | mx,mx,0 | 4.95000 | 4.95000 | 0.00000 |
| 83 | 0.31250 | 0.93750 | 0.93750 | 0,-mx,mx | 0.00000 | -4.95000 | 4.95000 |
| 84 | 0.43750 | 0.06250 | 0.18750 | -mx,-mx,0 | -4.95000 | -4.95000 | 0.00000 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 85 | 0.56250 | 0.31250 | 0.56250 | -mx,0,mx | -4.95000 | 0.00000 | 4.95000 |
| 86 | 0.56250 | 0.68750 | 0.43750 | -mx,0,-mx | -4.95000 | 0.00000 | -4.95000 |
| 87 | 0.43750 | 0.31250 | 0.43750 | mx,0,-mx | 4.95000 | 0.00000 | -4.95000 |
| 88 | 0.43750 | 0.68750 | 0.56250 | mx,0,mx | 4.95000 | 0.00000 | 4.95000 |
| 89 | 0.56250 | 0.56250 | 0.31250 | mx,-mx,0 | 4.95000 | -4.95000 | 0.00000 |
| 90 | 0.31250 | 0.56250 | 0.56250 | 0,mx,-mx | 0.00000 | 4.95000 | -4.95000 |
| 91 | 0.68750 | 0.56250 | 0.43750 | 0,mx,mx | 0.00000 | 4.95000 | 4.95000 |
| 92 | 0.43750 | 0.43750 | 0.31250 | -mx,mx,0 | -4.95000 | 4.95000 | 0.00000 |
| 93 | 0.68750 | 0.43750 | 0.56250 | 0,-mx,-mx | 0.00000 | -4.95000 | -4.95000 |
| 94 | 0.56250 | 0.43750 | 0.68750 | mx,mx,0 | 4.95000 | 4.95000 | 0.00000 |
| 95 | 0.31250 | 0.43750 | 0.43750 | 0,-mx,mx | 0.00000 | -4.95000 | 4.95000 |
| 96 | 0.43750 | 0.56250 | 0.68750 | -mx,-mx,0 | -4.95000 | -4.95000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Gd1_2:
| Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
| 1 | 0.31250 | 0.18750 | 0.18750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 2 | 0.31250 | 0.81250 | 0.81250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 3 | 0.68750 | 0.18750 | 0.81250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 4 | 0.68750 | 0.81250 | 0.18750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| (0,1/2,1/2) + set click here to show and hide |
| 5 | 0.31250 | 0.68750 | 0.68750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 6 | 0.31250 | 0.31250 | 0.31250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 7 | 0.68750 | 0.68750 | 0.31250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 8 | 0.68750 | 0.31250 | 0.68750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| (1/2,0,1/2) + set click here to show and hide |
| 9 | 0.81250 | 0.18750 | 0.68750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 10 | 0.81250 | 0.81250 | 0.31250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 11 | 0.18750 | 0.18750 | 0.31250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 12 | 0.18750 | 0.81250 | 0.68750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| (1/2,1/2,0) + set click here to show and hide |
| 13 | 0.81250 | 0.68750 | 0.18750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 14 | 0.81250 | 0.31250 | 0.81250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 15 | 0.18750 | 0.68750 | 0.81250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 16 | 0.18750 | 0.31250 | 0.18750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| (0,0,1/2)' + set click here to show and hide |
| 17 | 0.31250 | 0.18750 | 0.68750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 18 | 0.31250 | 0.81250 | 0.31250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 19 | 0.68750 | 0.18750 | 0.31250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 20 | 0.68750 | 0.81250 | 0.68750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| (0,1/2,0)' + set click here to show and hide |
| 21 | 0.31250 | 0.68750 | 0.18750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 22 | 0.31250 | 0.31250 | 0.81250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 23 | 0.68750 | 0.68750 | 0.81250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 24 | 0.68750 | 0.31250 | 0.18750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| (1/2,0,0)' + set click here to show and hide |
| 25 | 0.81250 | 0.18750 | 0.18750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 26 | 0.81250 | 0.81250 | 0.81250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 27 | 0.18750 | 0.18750 | 0.81250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 28 | 0.18750 | 0.81250 | 0.18750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 29 | 0.81250 | 0.68750 | 0.68750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 30 | 0.81250 | 0.31250 | 0.31250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 31 | 0.18750 | 0.68750 | 0.31250 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
| 32 | 0.18750 | 0.31250 | 0.68750 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ti1_1:
| Atom | x | y | z |
| 1 | 0.31250 | 0.06250 | 0.31250 |
| 2 | 0.31250 | 0.93750 | 0.68750 |
| 3 | 0.68750 | 0.06250 | 0.68750 |
| 4 | 0.68750 | 0.93750 | 0.31250 |
| 5 | 0.31250 | 0.31250 | 0.06250 |
| 6 | 0.06250 | 0.31250 | 0.31250 |
| 7 | 0.93750 | 0.31250 | 0.68750 |
| 8 | 0.68750 | 0.68750 | 0.06250 |
| 9 | 0.93750 | 0.68750 | 0.31250 |
| 10 | 0.31250 | 0.68750 | 0.93750 |
| 11 | 0.06250 | 0.68750 | 0.68750 |
| 12 | 0.68750 | 0.31250 | 0.93750 |
| (0,1/2,1/2) + set click here to show and hide |
| 13 | 0.31250 | 0.56250 | 0.81250 |
| 14 | 0.31250 | 0.43750 | 0.18750 |
| 15 | 0.68750 | 0.56250 | 0.18750 |
| 16 | 0.68750 | 0.43750 | 0.81250 |
| 17 | 0.31250 | 0.81250 | 0.56250 |
| 18 | 0.06250 | 0.81250 | 0.81250 |
| 19 | 0.93750 | 0.81250 | 0.18750 |
| 20 | 0.68750 | 0.18750 | 0.56250 |
| 21 | 0.93750 | 0.18750 | 0.81250 |
| 22 | 0.31250 | 0.18750 | 0.43750 |
| 23 | 0.06250 | 0.18750 | 0.18750 |
| 24 | 0.68750 | 0.81250 | 0.43750 |
| (1/2,0,1/2) + set click here to show and hide |
| 25 | 0.81250 | 0.06250 | 0.81250 |
| 26 | 0.81250 | 0.93750 | 0.18750 |
| 27 | 0.18750 | 0.06250 | 0.18750 |
| 28 | 0.18750 | 0.93750 | 0.81250 |
| 29 | 0.81250 | 0.31250 | 0.56250 |
| 30 | 0.56250 | 0.31250 | 0.81250 |
| 31 | 0.43750 | 0.31250 | 0.18750 |
| 32 | 0.18750 | 0.68750 | 0.56250 |
| 33 | 0.43750 | 0.68750 | 0.81250 |
| 34 | 0.81250 | 0.68750 | 0.43750 |
| 35 | 0.56250 | 0.68750 | 0.18750 |
| 36 | 0.18750 | 0.31250 | 0.43750 |
| (1/2,1/2,0) + set click here to show and hide |
| 37 | 0.81250 | 0.56250 | 0.31250 |
| 38 | 0.81250 | 0.43750 | 0.68750 |
| 39 | 0.18750 | 0.56250 | 0.68750 |
| 40 | 0.18750 | 0.43750 | 0.31250 |
| 41 | 0.81250 | 0.81250 | 0.06250 |
| 42 | 0.56250 | 0.81250 | 0.31250 |
| 43 | 0.43750 | 0.81250 | 0.68750 |
| 44 | 0.18750 | 0.18750 | 0.06250 |
| 45 | 0.43750 | 0.18750 | 0.31250 |
| 46 | 0.81250 | 0.18750 | 0.93750 |
| 47 | 0.56250 | 0.18750 | 0.68750 |
| 48 | 0.18750 | 0.81250 | 0.93750 |
| (0,0,1/2)' + set click here to show and hide |
| 49 | 0.31250 | 0.06250 | 0.81250 |
| 50 | 0.31250 | 0.93750 | 0.18750 |
| 51 | 0.68750 | 0.06250 | 0.18750 |
| 52 | 0.68750 | 0.93750 | 0.81250 |
| 53 | 0.31250 | 0.31250 | 0.56250 |
| 54 | 0.06250 | 0.31250 | 0.81250 |
| 55 | 0.93750 | 0.31250 | 0.18750 |
| 56 | 0.68750 | 0.68750 | 0.56250 |
| 57 | 0.93750 | 0.68750 | 0.81250 |
| 58 | 0.31250 | 0.68750 | 0.43750 |
| 59 | 0.06250 | 0.68750 | 0.18750 |
| 60 | 0.68750 | 0.31250 | 0.43750 |
| (0,1/2,0)' + set click here to show and hide |
| 61 | 0.31250 | 0.56250 | 0.31250 |
| 62 | 0.31250 | 0.43750 | 0.68750 |
| 63 | 0.68750 | 0.56250 | 0.68750 |
| 64 | 0.68750 | 0.43750 | 0.31250 |
| 65 | 0.31250 | 0.81250 | 0.06250 |
| 66 | 0.06250 | 0.81250 | 0.31250 |
| 67 | 0.93750 | 0.81250 | 0.68750 |
| 68 | 0.68750 | 0.18750 | 0.06250 |
| 69 | 0.93750 | 0.18750 | 0.31250 |
| 70 | 0.31250 | 0.18750 | 0.93750 |
| 71 | 0.06250 | 0.18750 | 0.68750 |
| 72 | 0.68750 | 0.81250 | 0.93750 |
| (1/2,0,0)' + set click here to show and hide |
| 73 | 0.81250 | 0.06250 | 0.31250 |
| 74 | 0.81250 | 0.93750 | 0.68750 |
| 75 | 0.18750 | 0.06250 | 0.68750 |
| 76 | 0.18750 | 0.93750 | 0.31250 |
| 77 | 0.81250 | 0.31250 | 0.06250 |
| 78 | 0.56250 | 0.31250 | 0.31250 |
| 79 | 0.43750 | 0.31250 | 0.68750 |
| 80 | 0.18750 | 0.68750 | 0.06250 |
| 81 | 0.43750 | 0.68750 | 0.31250 |
| 82 | 0.81250 | 0.68750 | 0.93750 |
| 83 | 0.56250 | 0.68750 | 0.68750 |
| 84 | 0.18750 | 0.31250 | 0.93750 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 85 | 0.81250 | 0.56250 | 0.81250 |
| 86 | 0.81250 | 0.43750 | 0.18750 |
| 87 | 0.18750 | 0.56250 | 0.18750 |
| 88 | 0.18750 | 0.43750 | 0.81250 |
| 89 | 0.81250 | 0.81250 | 0.56250 |
| 90 | 0.56250 | 0.81250 | 0.81250 |
| 91 | 0.43750 | 0.81250 | 0.18750 |
| 92 | 0.18750 | 0.18750 | 0.56250 |
| 93 | 0.43750 | 0.18750 | 0.81250 |
| 94 | 0.81250 | 0.18750 | 0.43750 |
| 95 | 0.56250 | 0.18750 | 0.18750 |
| 96 | 0.18750 | 0.81250 | 0.43750 |
Set of atoms in the unit cell related by symmetry with the atom Ti1_2:
| Atom | x | y | z |
| 1 | 0.06250 | 0.93750 | 0.43750 |
| 2 | 0.06250 | 0.06250 | 0.56250 |
| 3 | 0.93750 | 0.93750 | 0.56250 |
| 4 | 0.93750 | 0.06250 | 0.43750 |
| (0,1/2,1/2) + set click here to show and hide |
| 5 | 0.06250 | 0.43750 | 0.93750 |
| 6 | 0.06250 | 0.56250 | 0.06250 |
| 7 | 0.93750 | 0.43750 | 0.06250 |
| 8 | 0.93750 | 0.56250 | 0.93750 |
| (1/2,0,1/2) + set click here to show and hide |
| 9 | 0.56250 | 0.93750 | 0.93750 |
| 10 | 0.56250 | 0.06250 | 0.06250 |
| 11 | 0.43750 | 0.93750 | 0.06250 |
| 12 | 0.43750 | 0.06250 | 0.93750 |
| (1/2,1/2,0) + set click here to show and hide |
| 13 | 0.56250 | 0.43750 | 0.43750 |
| 14 | 0.56250 | 0.56250 | 0.56250 |
| 15 | 0.43750 | 0.43750 | 0.56250 |
| 16 | 0.43750 | 0.56250 | 0.43750 |
| (0,0,1/2)' + set click here to show and hide |
| 17 | 0.06250 | 0.93750 | 0.93750 |
| 18 | 0.06250 | 0.06250 | 0.06250 |
| 19 | 0.93750 | 0.93750 | 0.06250 |
| 20 | 0.93750 | 0.06250 | 0.93750 |
| (0,1/2,0)' + set click here to show and hide |
| 21 | 0.06250 | 0.43750 | 0.43750 |
| 22 | 0.06250 | 0.56250 | 0.56250 |
| 23 | 0.93750 | 0.43750 | 0.56250 |
| 24 | 0.93750 | 0.56250 | 0.43750 |
| (1/2,0,0)' + set click here to show and hide |
| 25 | 0.56250 | 0.93750 | 0.43750 |
| 26 | 0.56250 | 0.06250 | 0.56250 |
| 27 | 0.43750 | 0.93750 | 0.56250 |
| 28 | 0.43750 | 0.06250 | 0.43750 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 29 | 0.56250 | 0.43750 | 0.93750 |
| 30 | 0.56250 | 0.56250 | 0.06250 |
| 31 | 0.43750 | 0.43750 | 0.06250 |
| 32 | 0.43750 | 0.56250 | 0.93750 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
| Atom | x | y | z |
| 1 | 0.12500 | 0.87500 | 0.12500 |
| 2 | 0.12500 | 0.12500 | 0.87500 |
| 3 | 0.87500 | 0.87500 | 0.87500 |
| 4 | 0.87500 | 0.12500 | 0.12500 |
| (0,1/2,1/2) + set click here to show and hide |
| 5 | 0.12500 | 0.37500 | 0.62500 |
| 6 | 0.12500 | 0.62500 | 0.37500 |
| 7 | 0.87500 | 0.37500 | 0.37500 |
| 8 | 0.87500 | 0.62500 | 0.62500 |
| (1/2,0,1/2) + set click here to show and hide |
| 9 | 0.62500 | 0.87500 | 0.62500 |
| 10 | 0.62500 | 0.12500 | 0.37500 |
| 11 | 0.37500 | 0.87500 | 0.37500 |
| 12 | 0.37500 | 0.12500 | 0.62500 |
| (1/2,1/2,0) + set click here to show and hide |
| 13 | 0.62500 | 0.37500 | 0.12500 |
| 14 | 0.62500 | 0.62500 | 0.87500 |
| 15 | 0.37500 | 0.37500 | 0.87500 |
| 16 | 0.37500 | 0.62500 | 0.12500 |
| (0,0,1/2)' + set click here to show and hide |
| 17 | 0.12500 | 0.87500 | 0.62500 |
| 18 | 0.12500 | 0.12500 | 0.37500 |
| 19 | 0.87500 | 0.87500 | 0.37500 |
| 20 | 0.87500 | 0.12500 | 0.62500 |
| (0,1/2,0)' + set click here to show and hide |
| 21 | 0.12500 | 0.37500 | 0.12500 |
| 22 | 0.12500 | 0.62500 | 0.87500 |
| 23 | 0.87500 | 0.37500 | 0.87500 |
| 24 | 0.87500 | 0.62500 | 0.12500 |
| (1/2,0,0)' + set click here to show and hide |
| 25 | 0.62500 | 0.87500 | 0.12500 |
| 26 | 0.62500 | 0.12500 | 0.87500 |
| 27 | 0.37500 | 0.87500 | 0.87500 |
| 28 | 0.37500 | 0.12500 | 0.12500 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 29 | 0.62500 | 0.37500 | 0.62500 |
| 30 | 0.62500 | 0.62500 | 0.37500 |
| 31 | 0.37500 | 0.37500 | 0.37500 |
| 32 | 0.37500 | 0.62500 | 0.62500 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
| Atom | x | y | z |
| 1 | 0.50000 | 0.00000 | 0.25000 |
| 2 | 0.25000 | 0.50000 | 0.00000 |
| 3 | 0.00000 | 0.25000 | 0.50000 |
| (0,1/2,1/2) + set click here to show and hide |
| 4 | 0.50000 | 0.50000 | 0.75000 |
| 5 | 0.25000 | 0.00000 | 0.50000 |
| 6 | 0.00000 | 0.75000 | 0.00000 |
| (1/2,0,1/2) + set click here to show and hide |
| 7 | 0.00000 | 0.00000 | 0.75000 |
| 8 | 0.75000 | 0.50000 | 0.50000 |
| 9 | 0.50000 | 0.25000 | 0.00000 |
| (1/2,1/2,0) + set click here to show and hide |
| 10 | 0.00000 | 0.50000 | 0.25000 |
| 11 | 0.75000 | 0.00000 | 0.00000 |
| 12 | 0.50000 | 0.75000 | 0.50000 |
| (0,0,1/2)' + set click here to show and hide |
| 13 | 0.50000 | 0.00000 | 0.75000 |
| 14 | 0.25000 | 0.50000 | 0.50000 |
| 15 | 0.00000 | 0.25000 | 0.00000 |
| (0,1/2,0)' + set click here to show and hide |
| 16 | 0.50000 | 0.50000 | 0.25000 |
| 17 | 0.25000 | 0.00000 | 0.00000 |
| 18 | 0.00000 | 0.75000 | 0.50000 |
| (1/2,0,0)' + set click here to show and hide |
| 19 | 0.00000 | 0.00000 | 0.25000 |
| 20 | 0.75000 | 0.50000 | 0.00000 |
| 21 | 0.50000 | 0.25000 | 0.50000 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 22 | 0.00000 | 0.50000 | 0.75000 |
| 23 | 0.75000 | 0.00000 | 0.50000 |
| 24 | 0.50000 | 0.75000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
| Atom | x | y | z |
| 1 | 0.25000 | 0.25000 | 0.25000 |
| (0,1/2,1/2) + set click here to show and hide |
| 2 | 0.25000 | 0.75000 | 0.75000 |
| (1/2,0,1/2) + set click here to show and hide |
| 3 | 0.75000 | 0.25000 | 0.75000 |
| (1/2,1/2,0) + set click here to show and hide |
| 4 | 0.75000 | 0.75000 | 0.25000 |
| (0,0,1/2)' + set click here to show and hide |
| 5 | 0.25000 | 0.25000 | 0.75000 |
| (0,1/2,0)' + set click here to show and hide |
| 6 | 0.25000 | 0.75000 | 0.25000 |
| (1/2,0,0)' + set click here to show and hide |
| 7 | 0.75000 | 0.25000 | 0.25000 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 8 | 0.75000 | 0.75000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
| Atom | x | y | z |
| 1 | 0.27565 | 0.87500 | 0.12500 |
| 2 | 0.27565 | 0.12500 | 0.87500 |
| 3 | 0.72435 | 0.87500 | 0.87500 |
| 4 | 0.72435 | 0.12500 | 0.12500 |
| 5 | 0.12500 | 0.27565 | 0.87500 |
| 6 | 0.87500 | 0.12500 | 0.27565 |
| 7 | 0.12500 | 0.12500 | 0.72435 |
| 8 | 0.87500 | 0.72435 | 0.87500 |
| 9 | 0.12500 | 0.87500 | 0.27565 |
| 10 | 0.12500 | 0.72435 | 0.12500 |
| 11 | 0.87500 | 0.87500 | 0.72435 |
| 12 | 0.87500 | 0.27565 | 0.12500 |
| (0,1/2,1/2) + set click here to show and hide |
| 13 | 0.27565 | 0.37500 | 0.62500 |
| 14 | 0.27565 | 0.62500 | 0.37500 |
| 15 | 0.72435 | 0.37500 | 0.37500 |
| 16 | 0.72435 | 0.62500 | 0.62500 |
| 17 | 0.12500 | 0.77565 | 0.37500 |
| 18 | 0.87500 | 0.62500 | 0.77565 |
| 19 | 0.12500 | 0.62500 | 0.22435 |
| 20 | 0.87500 | 0.22435 | 0.37500 |
| 21 | 0.12500 | 0.37500 | 0.77565 |
| 22 | 0.12500 | 0.22435 | 0.62500 |
| 23 | 0.87500 | 0.37500 | 0.22435 |
| 24 | 0.87500 | 0.77565 | 0.62500 |
| (1/2,0,1/2) + set click here to show and hide |
| 25 | 0.77565 | 0.87500 | 0.62500 |
| 26 | 0.77565 | 0.12500 | 0.37500 |
| 27 | 0.22435 | 0.87500 | 0.37500 |
| 28 | 0.22435 | 0.12500 | 0.62500 |
| 29 | 0.62500 | 0.27565 | 0.37500 |
| 30 | 0.37500 | 0.12500 | 0.77565 |
| 31 | 0.62500 | 0.12500 | 0.22435 |
| 32 | 0.37500 | 0.72435 | 0.37500 |
| 33 | 0.62500 | 0.87500 | 0.77565 |
| 34 | 0.62500 | 0.72435 | 0.62500 |
| 35 | 0.37500 | 0.87500 | 0.22435 |
| 36 | 0.37500 | 0.27565 | 0.62500 |
| (1/2,1/2,0) + set click here to show and hide |
| 37 | 0.77565 | 0.37500 | 0.12500 |
| 38 | 0.77565 | 0.62500 | 0.87500 |
| 39 | 0.22435 | 0.37500 | 0.87500 |
| 40 | 0.22435 | 0.62500 | 0.12500 |
| 41 | 0.62500 | 0.77565 | 0.87500 |
| 42 | 0.37500 | 0.62500 | 0.27565 |
| 43 | 0.62500 | 0.62500 | 0.72435 |
| 44 | 0.37500 | 0.22435 | 0.87500 |
| 45 | 0.62500 | 0.37500 | 0.27565 |
| 46 | 0.62500 | 0.22435 | 0.12500 |
| 47 | 0.37500 | 0.37500 | 0.72435 |
| 48 | 0.37500 | 0.77565 | 0.12500 |
| (0,0,1/2)' + set click here to show and hide |
| 49 | 0.27565 | 0.87500 | 0.62500 |
| 50 | 0.27565 | 0.12500 | 0.37500 |
| 51 | 0.72435 | 0.87500 | 0.37500 |
| 52 | 0.72435 | 0.12500 | 0.62500 |
| 53 | 0.12500 | 0.27565 | 0.37500 |
| 54 | 0.87500 | 0.12500 | 0.77565 |
| 55 | 0.12500 | 0.12500 | 0.22435 |
| 56 | 0.87500 | 0.72435 | 0.37500 |
| 57 | 0.12500 | 0.87500 | 0.77565 |
| 58 | 0.12500 | 0.72435 | 0.62500 |
| 59 | 0.87500 | 0.87500 | 0.22435 |
| 60 | 0.87500 | 0.27565 | 0.62500 |
| (0,1/2,0)' + set click here to show and hide |
| 61 | 0.27565 | 0.37500 | 0.12500 |
| 62 | 0.27565 | 0.62500 | 0.87500 |
| 63 | 0.72435 | 0.37500 | 0.87500 |
| 64 | 0.72435 | 0.62500 | 0.12500 |
| 65 | 0.12500 | 0.77565 | 0.87500 |
| 66 | 0.87500 | 0.62500 | 0.27565 |
| 67 | 0.12500 | 0.62500 | 0.72435 |
| 68 | 0.87500 | 0.22435 | 0.87500 |
| 69 | 0.12500 | 0.37500 | 0.27565 |
| 70 | 0.12500 | 0.22435 | 0.12500 |
| 71 | 0.87500 | 0.37500 | 0.72435 |
| 72 | 0.87500 | 0.77565 | 0.12500 |
| (1/2,0,0)' + set click here to show and hide |
| 73 | 0.77565 | 0.87500 | 0.12500 |
| 74 | 0.77565 | 0.12500 | 0.87500 |
| 75 | 0.22435 | 0.87500 | 0.87500 |
| 76 | 0.22435 | 0.12500 | 0.12500 |
| 77 | 0.62500 | 0.27565 | 0.87500 |
| 78 | 0.37500 | 0.12500 | 0.27565 |
| 79 | 0.62500 | 0.12500 | 0.72435 |
| 80 | 0.37500 | 0.72435 | 0.87500 |
| 81 | 0.62500 | 0.87500 | 0.27565 |
| 82 | 0.62500 | 0.72435 | 0.12500 |
| 83 | 0.37500 | 0.87500 | 0.72435 |
| 84 | 0.37500 | 0.27565 | 0.12500 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 85 | 0.77565 | 0.37500 | 0.62500 |
| 86 | 0.77565 | 0.62500 | 0.37500 |
| 87 | 0.22435 | 0.37500 | 0.37500 |
| 88 | 0.22435 | 0.62500 | 0.62500 |
| 89 | 0.62500 | 0.77565 | 0.37500 |
| 90 | 0.37500 | 0.62500 | 0.77565 |
| 91 | 0.62500 | 0.62500 | 0.22435 |
| 92 | 0.37500 | 0.22435 | 0.37500 |
| 93 | 0.62500 | 0.37500 | 0.77565 |
| 94 | 0.62500 | 0.22435 | 0.62500 |
| 95 | 0.37500 | 0.37500 | 0.22435 |
| 96 | 0.37500 | 0.77565 | 0.62500 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
| Atom | x | y | z |
| 1 | 0.12500 | 0.02565 | 0.12500 |
| 2 | 0.12500 | 0.97435 | 0.87500 |
| 3 | 0.87500 | 0.02565 | 0.87500 |
| 4 | 0.87500 | 0.97435 | 0.12500 |
| 5 | 0.12500 | 0.12500 | 0.02565 |
| 6 | 0.02565 | 0.12500 | 0.12500 |
| 7 | 0.97435 | 0.12500 | 0.87500 |
| 8 | 0.87500 | 0.87500 | 0.02565 |
| 9 | 0.97435 | 0.87500 | 0.12500 |
| 10 | 0.12500 | 0.87500 | 0.97435 |
| 11 | 0.02565 | 0.87500 | 0.87500 |
| 12 | 0.87500 | 0.12500 | 0.97435 |
| (0,1/2,1/2) + set click here to show and hide |
| 13 | 0.12500 | 0.52565 | 0.62500 |
| 14 | 0.12500 | 0.47435 | 0.37500 |
| 15 | 0.87500 | 0.52565 | 0.37500 |
| 16 | 0.87500 | 0.47435 | 0.62500 |
| 17 | 0.12500 | 0.62500 | 0.52565 |
| 18 | 0.02565 | 0.62500 | 0.62500 |
| 19 | 0.97435 | 0.62500 | 0.37500 |
| 20 | 0.87500 | 0.37500 | 0.52565 |
| 21 | 0.97435 | 0.37500 | 0.62500 |
| 22 | 0.12500 | 0.37500 | 0.47435 |
| 23 | 0.02565 | 0.37500 | 0.37500 |
| 24 | 0.87500 | 0.62500 | 0.47435 |
| (1/2,0,1/2) + set click here to show and hide |
| 25 | 0.62500 | 0.02565 | 0.62500 |
| 26 | 0.62500 | 0.97435 | 0.37500 |
| 27 | 0.37500 | 0.02565 | 0.37500 |
| 28 | 0.37500 | 0.97435 | 0.62500 |
| 29 | 0.62500 | 0.12500 | 0.52565 |
| 30 | 0.52565 | 0.12500 | 0.62500 |
| 31 | 0.47435 | 0.12500 | 0.37500 |
| 32 | 0.37500 | 0.87500 | 0.52565 |
| 33 | 0.47435 | 0.87500 | 0.62500 |
| 34 | 0.62500 | 0.87500 | 0.47435 |
| 35 | 0.52565 | 0.87500 | 0.37500 |
| 36 | 0.37500 | 0.12500 | 0.47435 |
| (1/2,1/2,0) + set click here to show and hide |
| 37 | 0.62500 | 0.52565 | 0.12500 |
| 38 | 0.62500 | 0.47435 | 0.87500 |
| 39 | 0.37500 | 0.52565 | 0.87500 |
| 40 | 0.37500 | 0.47435 | 0.12500 |
| 41 | 0.62500 | 0.62500 | 0.02565 |
| 42 | 0.52565 | 0.62500 | 0.12500 |
| 43 | 0.47435 | 0.62500 | 0.87500 |
| 44 | 0.37500 | 0.37500 | 0.02565 |
| 45 | 0.47435 | 0.37500 | 0.12500 |
| 46 | 0.62500 | 0.37500 | 0.97435 |
| 47 | 0.52565 | 0.37500 | 0.87500 |
| 48 | 0.37500 | 0.62500 | 0.97435 |
| (0,0,1/2)' + set click here to show and hide |
| 49 | 0.12500 | 0.02565 | 0.62500 |
| 50 | 0.12500 | 0.97435 | 0.37500 |
| 51 | 0.87500 | 0.02565 | 0.37500 |
| 52 | 0.87500 | 0.97435 | 0.62500 |
| 53 | 0.12500 | 0.12500 | 0.52565 |
| 54 | 0.02565 | 0.12500 | 0.62500 |
| 55 | 0.97435 | 0.12500 | 0.37500 |
| 56 | 0.87500 | 0.87500 | 0.52565 |
| 57 | 0.97435 | 0.87500 | 0.62500 |
| 58 | 0.12500 | 0.87500 | 0.47435 |
| 59 | 0.02565 | 0.87500 | 0.37500 |
| 60 | 0.87500 | 0.12500 | 0.47435 |
| (0,1/2,0)' + set click here to show and hide |
| 61 | 0.12500 | 0.52565 | 0.12500 |
| 62 | 0.12500 | 0.47435 | 0.87500 |
| 63 | 0.87500 | 0.52565 | 0.87500 |
| 64 | 0.87500 | 0.47435 | 0.12500 |
| 65 | 0.12500 | 0.62500 | 0.02565 |
| 66 | 0.02565 | 0.62500 | 0.12500 |
| 67 | 0.97435 | 0.62500 | 0.87500 |
| 68 | 0.87500 | 0.37500 | 0.02565 |
| 69 | 0.97435 | 0.37500 | 0.12500 |
| 70 | 0.12500 | 0.37500 | 0.97435 |
| 71 | 0.02565 | 0.37500 | 0.87500 |
| 72 | 0.87500 | 0.62500 | 0.97435 |
| (1/2,0,0)' + set click here to show and hide |
| 73 | 0.62500 | 0.02565 | 0.12500 |
| 74 | 0.62500 | 0.97435 | 0.87500 |
| 75 | 0.37500 | 0.02565 | 0.87500 |
| 76 | 0.37500 | 0.97435 | 0.12500 |
| 77 | 0.62500 | 0.12500 | 0.02565 |
| 78 | 0.52565 | 0.12500 | 0.12500 |
| 79 | 0.47435 | 0.12500 | 0.87500 |
| 80 | 0.37500 | 0.87500 | 0.02565 |
| 81 | 0.47435 | 0.87500 | 0.12500 |
| 82 | 0.62500 | 0.87500 | 0.97435 |
| 83 | 0.52565 | 0.87500 | 0.87500 |
| 84 | 0.37500 | 0.12500 | 0.97435 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 85 | 0.62500 | 0.52565 | 0.62500 |
| 86 | 0.62500 | 0.47435 | 0.37500 |
| 87 | 0.37500 | 0.52565 | 0.37500 |
| 88 | 0.37500 | 0.47435 | 0.62500 |
| 89 | 0.62500 | 0.62500 | 0.52565 |
| 90 | 0.52565 | 0.62500 | 0.62500 |
| 91 | 0.47435 | 0.62500 | 0.37500 |
| 92 | 0.37500 | 0.37500 | 0.52565 |
| 93 | 0.47435 | 0.37500 | 0.62500 |
| 94 | 0.62500 | 0.37500 | 0.47435 |
| 95 | 0.52565 | 0.37500 | 0.37500 |
| 96 | 0.37500 | 0.62500 | 0.47435 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
| Atom | x | y | z |
| 1 | 0.50000 | 0.15065 | 0.25000 |
| 2 | 0.50000 | 0.84935 | 0.75000 |
| 3 | 0.25000 | 0.50000 | 0.15065 |
| 4 | 0.15065 | 0.25000 | 0.50000 |
| 5 | 0.84935 | 0.25000 | 0.50000 |
| 6 | 0.25000 | 0.50000 | 0.84935 |
| 7 | 0.50000 | 0.25000 | 0.84935 |
| 8 | 0.50000 | 0.75000 | 0.15065 |
| 9 | 0.75000 | 0.84935 | 0.50000 |
| 10 | 0.15065 | 0.50000 | 0.75000 |
| 11 | 0.84935 | 0.50000 | 0.75000 |
| 12 | 0.75000 | 0.15065 | 0.50000 |
| (0,1/2,1/2) + set click here to show and hide |
| 13 | 0.50000 | 0.65065 | 0.75000 |
| 14 | 0.50000 | 0.34935 | 0.25000 |
| 15 | 0.25000 | 0.00000 | 0.65065 |
| 16 | 0.15065 | 0.75000 | 0.00000 |
| 17 | 0.84935 | 0.75000 | 0.00000 |
| 18 | 0.25000 | 0.00000 | 0.34935 |
| 19 | 0.50000 | 0.75000 | 0.34935 |
| 20 | 0.50000 | 0.25000 | 0.65065 |
| 21 | 0.75000 | 0.34935 | 0.00000 |
| 22 | 0.15065 | 0.00000 | 0.25000 |
| 23 | 0.84935 | 0.00000 | 0.25000 |
| 24 | 0.75000 | 0.65065 | 0.00000 |
| (1/2,0,1/2) + set click here to show and hide |
| 25 | 0.00000 | 0.15065 | 0.75000 |
| 26 | 0.00000 | 0.84935 | 0.25000 |
| 27 | 0.75000 | 0.50000 | 0.65065 |
| 28 | 0.65065 | 0.25000 | 0.00000 |
| 29 | 0.34935 | 0.25000 | 0.00000 |
| 30 | 0.75000 | 0.50000 | 0.34935 |
| 31 | 0.00000 | 0.25000 | 0.34935 |
| 32 | 0.00000 | 0.75000 | 0.65065 |
| 33 | 0.25000 | 0.84935 | 0.00000 |
| 34 | 0.65065 | 0.50000 | 0.25000 |
| 35 | 0.34935 | 0.50000 | 0.25000 |
| 36 | 0.25000 | 0.15065 | 0.00000 |
| (1/2,1/2,0) + set click here to show and hide |
| 37 | 0.00000 | 0.65065 | 0.25000 |
| 38 | 0.00000 | 0.34935 | 0.75000 |
| 39 | 0.75000 | 0.00000 | 0.15065 |
| 40 | 0.65065 | 0.75000 | 0.50000 |
| 41 | 0.34935 | 0.75000 | 0.50000 |
| 42 | 0.75000 | 0.00000 | 0.84935 |
| 43 | 0.00000 | 0.75000 | 0.84935 |
| 44 | 0.00000 | 0.25000 | 0.15065 |
| 45 | 0.25000 | 0.34935 | 0.50000 |
| 46 | 0.65065 | 0.00000 | 0.75000 |
| 47 | 0.34935 | 0.00000 | 0.75000 |
| 48 | 0.25000 | 0.65065 | 0.50000 |
| (0,0,1/2)' + set click here to show and hide |
| 49 | 0.50000 | 0.15065 | 0.75000 |
| 50 | 0.50000 | 0.84935 | 0.25000 |
| 51 | 0.25000 | 0.50000 | 0.65065 |
| 52 | 0.15065 | 0.25000 | 0.00000 |
| 53 | 0.84935 | 0.25000 | 0.00000 |
| 54 | 0.25000 | 0.50000 | 0.34935 |
| 55 | 0.50000 | 0.25000 | 0.34935 |
| 56 | 0.50000 | 0.75000 | 0.65065 |
| 57 | 0.75000 | 0.84935 | 0.00000 |
| 58 | 0.15065 | 0.50000 | 0.25000 |
| 59 | 0.84935 | 0.50000 | 0.25000 |
| 60 | 0.75000 | 0.15065 | 0.00000 |
| (0,1/2,0)' + set click here to show and hide |
| 61 | 0.50000 | 0.65065 | 0.25000 |
| 62 | 0.50000 | 0.34935 | 0.75000 |
| 63 | 0.25000 | 0.00000 | 0.15065 |
| 64 | 0.15065 | 0.75000 | 0.50000 |
| 65 | 0.84935 | 0.75000 | 0.50000 |
| 66 | 0.25000 | 0.00000 | 0.84935 |
| 67 | 0.50000 | 0.75000 | 0.84935 |
| 68 | 0.50000 | 0.25000 | 0.15065 |
| 69 | 0.75000 | 0.34935 | 0.50000 |
| 70 | 0.15065 | 0.00000 | 0.75000 |
| 71 | 0.84935 | 0.00000 | 0.75000 |
| 72 | 0.75000 | 0.65065 | 0.50000 |
| (1/2,0,0)' + set click here to show and hide |
| 73 | 0.00000 | 0.15065 | 0.25000 |
| 74 | 0.00000 | 0.84935 | 0.75000 |
| 75 | 0.75000 | 0.50000 | 0.15065 |
| 76 | 0.65065 | 0.25000 | 0.50000 |
| 77 | 0.34935 | 0.25000 | 0.50000 |
| 78 | 0.75000 | 0.50000 | 0.84935 |
| 79 | 0.00000 | 0.25000 | 0.84935 |
| 80 | 0.00000 | 0.75000 | 0.15065 |
| 81 | 0.25000 | 0.84935 | 0.50000 |
| 82 | 0.65065 | 0.50000 | 0.75000 |
| 83 | 0.34935 | 0.50000 | 0.75000 |
| 84 | 0.25000 | 0.15065 | 0.50000 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 85 | 0.00000 | 0.65065 | 0.75000 |
| 86 | 0.00000 | 0.34935 | 0.25000 |
| 87 | 0.75000 | 0.00000 | 0.65065 |
| 88 | 0.65065 | 0.75000 | 0.00000 |
| 89 | 0.34935 | 0.75000 | 0.00000 |
| 90 | 0.75000 | 0.00000 | 0.34935 |
| 91 | 0.00000 | 0.75000 | 0.34935 |
| 92 | 0.00000 | 0.25000 | 0.65065 |
| 93 | 0.25000 | 0.34935 | 0.00000 |
| 94 | 0.65065 | 0.00000 | 0.25000 |
| 95 | 0.34935 | 0.00000 | 0.25000 |
| 96 | 0.25000 | 0.65065 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O2_4:
| Atom | x | y | z |
| 1 | 0.50000 | 0.59935 | 0.50000 |
| 2 | 0.50000 | 0.40065 | 0.50000 |
| 3 | 0.50000 | 0.50000 | 0.59935 |
| 4 | 0.59935 | 0.50000 | 0.50000 |
| 5 | 0.40065 | 0.50000 | 0.50000 |
| 6 | 0.50000 | 0.50000 | 0.40065 |
| (0,1/2,1/2) + set click here to show and hide |
| 7 | 0.50000 | 0.09935 | 0.00000 |
| 8 | 0.50000 | 0.90065 | 0.00000 |
| 9 | 0.50000 | 0.00000 | 0.09935 |
| 10 | 0.59935 | 0.00000 | 0.00000 |
| 11 | 0.40065 | 0.00000 | 0.00000 |
| 12 | 0.50000 | 0.00000 | 0.90065 |
| (1/2,0,1/2) + set click here to show and hide |
| 13 | 0.00000 | 0.59935 | 0.00000 |
| 14 | 0.00000 | 0.40065 | 0.00000 |
| 15 | 0.00000 | 0.50000 | 0.09935 |
| 16 | 0.09935 | 0.50000 | 0.00000 |
| 17 | 0.90065 | 0.50000 | 0.00000 |
| 18 | 0.00000 | 0.50000 | 0.90065 |
| (1/2,1/2,0) + set click here to show and hide |
| 19 | 0.00000 | 0.09935 | 0.50000 |
| 20 | 0.00000 | 0.90065 | 0.50000 |
| 21 | 0.00000 | 0.00000 | 0.59935 |
| 22 | 0.09935 | 0.00000 | 0.50000 |
| 23 | 0.90065 | 0.00000 | 0.50000 |
| 24 | 0.00000 | 0.00000 | 0.40065 |
| (0,0,1/2)' + set click here to show and hide |
| 25 | 0.50000 | 0.59935 | 0.00000 |
| 26 | 0.50000 | 0.40065 | 0.00000 |
| 27 | 0.50000 | 0.50000 | 0.09935 |
| 28 | 0.59935 | 0.50000 | 0.00000 |
| 29 | 0.40065 | 0.50000 | 0.00000 |
| 30 | 0.50000 | 0.50000 | 0.90065 |
| (0,1/2,0)' + set click here to show and hide |
| 31 | 0.50000 | 0.09935 | 0.50000 |
| 32 | 0.50000 | 0.90065 | 0.50000 |
| 33 | 0.50000 | 0.00000 | 0.59935 |
| 34 | 0.59935 | 0.00000 | 0.50000 |
| 35 | 0.40065 | 0.00000 | 0.50000 |
| 36 | 0.50000 | 0.00000 | 0.40065 |
| (1/2,0,0)' + set click here to show and hide |
| 37 | 0.00000 | 0.59935 | 0.50000 |
| 38 | 0.00000 | 0.40065 | 0.50000 |
| 39 | 0.00000 | 0.50000 | 0.59935 |
| 40 | 0.09935 | 0.50000 | 0.50000 |
| 41 | 0.90065 | 0.50000 | 0.50000 |
| 42 | 0.00000 | 0.50000 | 0.40065 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 43 | 0.00000 | 0.09935 | 0.00000 |
| 44 | 0.00000 | 0.90065 | 0.00000 |
| 45 | 0.00000 | 0.00000 | 0.09935 |
| 46 | 0.09935 | 0.00000 | 0.00000 |
| 47 | 0.90065 | 0.00000 | 0.00000 |
| 48 | 0.00000 | 0.00000 | 0.90065 |
Set of atoms in the unit cell related by symmetry with the atom O2_5:
| Atom | x | y | z |
| 1 | 0.09935 | 0.25000 | 0.25000 |
| 2 | 0.90065 | 0.25000 | 0.75000 |
| 3 | 0.25000 | 0.09935 | 0.25000 |
| 4 | 0.25000 | 0.25000 | 0.09935 |
| 5 | 0.75000 | 0.25000 | 0.90065 |
| 6 | 0.75000 | 0.90065 | 0.25000 |
| (0,1/2,1/2) + set click here to show and hide |
| 7 | 0.09935 | 0.75000 | 0.75000 |
| 8 | 0.90065 | 0.75000 | 0.25000 |
| 9 | 0.25000 | 0.59935 | 0.75000 |
| 10 | 0.25000 | 0.75000 | 0.59935 |
| 11 | 0.75000 | 0.75000 | 0.40065 |
| 12 | 0.75000 | 0.40065 | 0.75000 |
| (1/2,0,1/2) + set click here to show and hide |
| 13 | 0.59935 | 0.25000 | 0.75000 |
| 14 | 0.40065 | 0.25000 | 0.25000 |
| 15 | 0.75000 | 0.09935 | 0.75000 |
| 16 | 0.75000 | 0.25000 | 0.59935 |
| 17 | 0.25000 | 0.25000 | 0.40065 |
| 18 | 0.25000 | 0.90065 | 0.75000 |
| (1/2,1/2,0) + set click here to show and hide |
| 19 | 0.59935 | 0.75000 | 0.25000 |
| 20 | 0.40065 | 0.75000 | 0.75000 |
| 21 | 0.75000 | 0.59935 | 0.25000 |
| 22 | 0.75000 | 0.75000 | 0.09935 |
| 23 | 0.25000 | 0.75000 | 0.90065 |
| 24 | 0.25000 | 0.40065 | 0.25000 |
| (0,0,1/2)' + set click here to show and hide |
| 25 | 0.09935 | 0.25000 | 0.75000 |
| 26 | 0.90065 | 0.25000 | 0.25000 |
| 27 | 0.25000 | 0.09935 | 0.75000 |
| 28 | 0.25000 | 0.25000 | 0.59935 |
| 29 | 0.75000 | 0.25000 | 0.40065 |
| 30 | 0.75000 | 0.90065 | 0.75000 |
| (0,1/2,0)' + set click here to show and hide |
| 31 | 0.09935 | 0.75000 | 0.25000 |
| 32 | 0.90065 | 0.75000 | 0.75000 |
| 33 | 0.25000 | 0.59935 | 0.25000 |
| 34 | 0.25000 | 0.75000 | 0.09935 |
| 35 | 0.75000 | 0.75000 | 0.90065 |
| 36 | 0.75000 | 0.40065 | 0.25000 |
| (1/2,0,0)' + set click here to show and hide |
| 37 | 0.59935 | 0.25000 | 0.25000 |
| 38 | 0.40065 | 0.25000 | 0.75000 |
| 39 | 0.75000 | 0.09935 | 0.25000 |
| 40 | 0.75000 | 0.25000 | 0.09935 |
| 41 | 0.25000 | 0.25000 | 0.90065 |
| 42 | 0.25000 | 0.90065 | 0.25000 |
| (1/2,1/2,1/2)' + set click here to show and hide |
| 43 | 0.59935 | 0.75000 | 0.75000 |
| 44 | 0.40065 | 0.75000 | 0.25000 |
| 45 | 0.75000 | 0.59935 | 0.75000 |
| 46 | 0.75000 | 0.75000 | 0.59935 |
| 47 | 0.25000 | 0.75000 | 0.40065 |
| 48 | 0.25000 | 0.40065 | 0.75000 |
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