MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
3	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
4	-x,-y,-z,+1	{ -1 \| 0 }
5	-z,-x,-y,+1	{ -3⁺₁₁₁ \| 0 }
6	-y,-z,-x,+1	{ -3^-₁₁₁ \| 0 }
7	-z,-y,-x,-1	{ 2'_-101 \| 0 }
8	-x,-z,-y,-1	{ 2'_01-1 \| 0 }
9	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
10	z,y,x,-1	{ m'_-101 \| 0 }
11	x,z,y,-1	{ m'_01-1 \| 0 }
12	y,x,z,-1	{ m'_1-10 \| 0 }
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13	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
14	z,x+1/2,y+1/2,+1	{ 3⁺₁₁₁ \| 0 1/2 1/2 }
15	y,z+1/2,x+1/2,+1	{ 3^-₁₁₁ \| 0 1/2 1/2 }
16	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
17	-z,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 0 1/2 1/2 }
18	-y,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 0 1/2 1/2 }
19	-z,-y+1/2,-x+1/2,-1	{ 2'_-101 \| 0 1/2 1/2 }
20	-x,-z+1/2,-y+1/2,-1	{ 2'_01-1 \| 0 1/2 1/2 }
21	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
22	z,y+1/2,x+1/2,-1	{ m'_-101 \| 0 1/2 1/2 }
23	x,z+1/2,y+1/2,-1	{ m'_01-1 \| 0 1/2 1/2 }
24	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
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25	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
26	z+1/2,x,y+1/2,+1	{ 3⁺₁₁₁ \| 1/2 0 1/2 }
27	y+1/2,z,x+1/2,+1	{ 3^-₁₁₁ \| 1/2 0 1/2 }
28	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
29	-z+1/2,-x,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 0 1/2 }
30	-y+1/2,-z,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 0 1/2 }
31	-z+1/2,-y,-x+1/2,-1	{ 2'_-101 \| 1/2 0 1/2 }
32	-x+1/2,-z,-y+1/2,-1	{ 2'_01-1 \| 1/2 0 1/2 }
33	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }
34	z+1/2,y,x+1/2,-1	{ m'_-101 \| 1/2 0 1/2 }
35	x+1/2,z,y+1/2,-1	{ m'_01-1 \| 1/2 0 1/2 }
36	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
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37	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
38	z+1/2,x+1/2,y,+1	{ 3⁺₁₁₁ \| 1/2 1/2 0 }
39	y+1/2,z+1/2,x,+1	{ 3^-₁₁₁ \| 1/2 1/2 0 }
40	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
41	-z+1/2,-x+1/2,-y,+1	{ -3⁺₁₁₁ \| 1/2 1/2 0 }
42	-y+1/2,-z+1/2,-x,+1	{ -3^-₁₁₁ \| 1/2 1/2 0 }
43	-z+1/2,-y+1/2,-x,-1	{ 2'_-101 \| 1/2 1/2 0 }
44	-x+1/2,-z+1/2,-y,-1	{ 2'_01-1 \| 1/2 1/2 0 }
45	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
46	z+1/2,y+1/2,x,-1	{ m'_-101 \| 1/2 1/2 0 }
47	x+1/2,z+1/2,y,-1	{ m'_01-1 \| 1/2 1/2 0 }
48	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	z,x,y,+1	3⁺₁₁₁
3	y,z,x,+1	3^-₁₁₁
4	-x,-y,-z,+1	-1
5	-z,-x,-y,+1	-3⁺₁₁₁
6	-y,-z,-x,+1	-3^-₁₁₁
7	-z,-y,-x,-1	2'_-101
8	-x,-z,-y,-1	2'_01-1
9	-y,-x,-z,-1	2'_1-10
10	z,y,x,-1	m'_-101
11	x,z,y,-1	m'_01-1
12	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.24020	0.00000	0.00000	24	m_x,m_z,m_z	0.0	4.8(3)	4.8(3)	6.79

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.25000	0.25000	0.25000	8
F1_1	F	0.1118	0.1118	0.1118	8
F1_2	F	0.8882	0.8882	0.1118	24
F2_1	F	0.5000	0.1665	0.1665	24
F2_2	F	0.5000	0.8335	0.1665	24

[Show all atoms in unit cell and their moment relations]

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 Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24020	0.00000	0.00000	m_x,m_z,m_z	0.00000	4.80000	4.80000
2	0.00000	0.24020	0.00000	m_z,m_x,m_z	4.80000	0.00000	4.80000
3	0.00000	0.00000	0.24020	m_z,m_z,m_x	4.80000	4.80000	0.00000
4	0.75980	0.00000	0.00000	m_x,m_z,m_z	0.00000	4.80000	4.80000
5	0.00000	0.75980	0.00000	m_z,m_x,m_z	4.80000	0.00000	4.80000
6	0.00000	0.00000	0.75980	m_z,m_z,m_x	4.80000	4.80000	0.00000
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7	0.24020	0.50000	0.50000	m_x,m_z,m_z	0.00000	4.80000	4.80000
8	0.00000	0.74020	0.50000	m_z,m_x,m_z	4.80000	0.00000	4.80000
9	0.00000	0.50000	0.74020	m_z,m_z,m_x	4.80000	4.80000	0.00000
10	0.75980	0.50000	0.50000	m_x,m_z,m_z	0.00000	4.80000	4.80000
11	0.00000	0.25980	0.50000	m_z,m_x,m_z	4.80000	0.00000	4.80000
12	0.00000	0.50000	0.25980	m_z,m_z,m_x	4.80000	4.80000	0.00000
(1/2,0,1/2) + set click here to show and hide
13	0.74020	0.00000	0.50000	m_x,m_z,m_z	0.00000	4.80000	4.80000
14	0.50000	0.24020	0.50000	m_z,m_x,m_z	4.80000	0.00000	4.80000
15	0.50000	0.00000	0.74020	m_z,m_z,m_x	4.80000	4.80000	0.00000
16	0.25980	0.00000	0.50000	m_x,m_z,m_z	0.00000	4.80000	4.80000
17	0.50000	0.75980	0.50000	m_z,m_x,m_z	4.80000	0.00000	4.80000
18	0.50000	0.00000	0.25980	m_z,m_z,m_x	4.80000	4.80000	0.00000
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19	0.74020	0.50000	0.00000	m_x,m_z,m_z	0.00000	4.80000	4.80000
20	0.50000	0.74020	0.00000	m_z,m_x,m_z	4.80000	0.00000	4.80000
21	0.50000	0.50000	0.24020	m_z,m_z,m_x	4.80000	4.80000	0.00000
22	0.25980	0.50000	0.00000	m_x,m_z,m_z	0.00000	4.80000	4.80000
23	0.50000	0.25980	0.00000	m_z,m_x,m_z	4.80000	0.00000	4.80000
24	0.50000	0.50000	0.75980	m_z,m_z,m_x	4.80000	4.80000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1:

Atom	x	y	z
1	0.25000	0.25000	0.25000
2	0.75000	0.75000	0.75000
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3	0.25000	0.75000	0.75000
4	0.75000	0.25000	0.25000
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5	0.75000	0.25000	0.75000
6	0.25000	0.75000	0.25000
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7	0.75000	0.75000	0.25000
8	0.25000	0.25000	0.75000

Set of atoms in the unit cell related by symmetry with the atom F1_1:

Atom	x	y	z
1	0.11180	0.11180	0.11180
2	0.88820	0.88820	0.88820
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3	0.11180	0.61180	0.61180
4	0.88820	0.38820	0.38820
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5	0.61180	0.11180	0.61180
6	0.38820	0.88820	0.38820
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7	0.61180	0.61180	0.11180
8	0.38820	0.38820	0.88820

Set of atoms in the unit cell related by symmetry with the atom F1_2:

Atom	x	y	z
1	0.88820	0.88820	0.11180
2	0.11180	0.88820	0.88820
3	0.88820	0.11180	0.88820
4	0.11180	0.11180	0.88820
5	0.88820	0.11180	0.11180
6	0.11180	0.88820	0.11180
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7	0.88820	0.38820	0.61180
8	0.11180	0.38820	0.38820
9	0.88820	0.61180	0.38820
10	0.11180	0.61180	0.38820
11	0.88820	0.61180	0.61180
12	0.11180	0.38820	0.61180
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13	0.38820	0.88820	0.61180
14	0.61180	0.88820	0.38820
15	0.38820	0.11180	0.38820
16	0.61180	0.11180	0.38820
17	0.38820	0.11180	0.61180
18	0.61180	0.88820	0.61180
(1/2,1/2,0) + set click here to show and hide
19	0.38820	0.38820	0.11180
20	0.61180	0.38820	0.88820
21	0.38820	0.61180	0.88820
22	0.61180	0.61180	0.88820
23	0.38820	0.61180	0.11180
24	0.61180	0.38820	0.11180

Set of atoms in the unit cell related by symmetry with the atom F2_1:

Atom	x	y	z
1	0.50000	0.16650	0.16650
2	0.16650	0.50000	0.16650
3	0.16650	0.16650	0.50000
4	0.50000	0.83350	0.83350
5	0.83350	0.50000	0.83350
6	0.83350	0.83350	0.50000
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7	0.50000	0.66650	0.66650
8	0.16650	0.00000	0.66650
9	0.16650	0.66650	0.00000
10	0.50000	0.33350	0.33350
11	0.83350	0.00000	0.33350
12	0.83350	0.33350	0.00000
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13	0.00000	0.16650	0.66650
14	0.66650	0.50000	0.66650
15	0.66650	0.16650	0.00000
16	0.00000	0.83350	0.33350
17	0.33350	0.50000	0.33350
18	0.33350	0.83350	0.00000
(1/2,1/2,0) + set click here to show and hide
19	0.00000	0.66650	0.16650
20	0.66650	0.00000	0.16650
21	0.66650	0.66650	0.50000
22	0.00000	0.33350	0.83350
23	0.33350	0.00000	0.83350
24	0.33350	0.33350	0.50000

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Atom	x	y	z
1	0.50000	0.83350	0.16650
2	0.16650	0.50000	0.83350
3	0.83350	0.16650	0.50000
4	0.50000	0.16650	0.83350
5	0.83350	0.50000	0.16650
6	0.16650	0.83350	0.50000
(0,1/2,1/2) + set click here to show and hide
7	0.50000	0.33350	0.66650
8	0.16650	0.00000	0.33350
9	0.83350	0.66650	0.00000
10	0.50000	0.66650	0.33350
11	0.83350	0.00000	0.66650
12	0.16650	0.33350	0.00000
(1/2,0,1/2) + set click here to show and hide
13	0.00000	0.83350	0.66650
14	0.66650	0.50000	0.33350
15	0.33350	0.16650	0.00000
16	0.00000	0.16650	0.33350
17	0.33350	0.50000	0.66650
18	0.66650	0.83350	0.00000
(1/2,1/2,0) + set click here to show and hide
19	0.00000	0.33350	0.16650
20	0.66650	0.00000	0.83350
21	0.33350	0.66650	0.50000
22	0.00000	0.66650	0.83350
23	0.33350	0.00000	0.16650
24	0.66650	0.33350	0.50000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.24020	0.00000	0.00000	24	m_x,m_z,m_z	0.0	4.8(3)	4.8(3)	6.79

[Show all magnetic atoms in unit cell and their moment relations]

MAGNDATA: A Collection of magnetic structures with portable cif-type files

KTb₃F₁₀ (#0.1120)

MAGNDATA: A Collection of magnetic structures with portable cif-type files

KTb3F10 (#0.1120)

KTb₃F₁₀ (#0.1120)