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	-y+2/3,x-y+2/3,z,+1	{ 3⁺₀₀₁ \| 2/3 2/3 0 }
3	-x+y,-x+2/3,z,+1	{ 3^-₀₀₁ \| 0 2/3 0 }
4	-x+y,y,z,+1	{ m₁₀₀ \| 0 }
5	-y+2/3,-x+2/3,z,+1	{ m₁₁₀ \| 2/3 2/3 0 }
6	x,x-y+2/3,z,+1	{ m₀₁₀ \| 0 2/3 0 }
7	-y+2/3,-x+2/3,-z+1/2,-1	{ 2'_1-10 \| 2/3 2/3 1/2 }
8	x,x-y+2/3,-z+1/2,-1	{ 2'₂₁₀ \| 0 2/3 1/2 }
9	-x+y,y,-z+1/2,-1	{ 2'₁₂₀ \| 0 0 1/2 }
10	-x+y,-x+2/3,-z+1/2,-1	{ -6'⁺₀₀₁ \| 0 2/3 1/2 }
11	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
12	-y+2/3,x-y+2/3,-z+1/2,-1	{ -6'^-₀₀₁ \| 2/3 2/3 1/2 }
(1/3,2/3,0) + set click here to show and hide
13	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
14	-y,x-y+1/3,z,+1	{ 3⁺₀₀₁ \| 0 1/3 0 }
15	-x+y+1/3,-x+1/3,z,+1	{ 3^-₀₀₁ \| 1/3 1/3 0 }
16	-x+y+1/3,y+2/3,z,+1	{ m₁₀₀ \| 1/3 2/3 0 }
17	-y,-x+1/3,z,+1	{ m₁₁₀ \| 0 1/3 0 }
18	x+1/3,x-y+1/3,z,+1	{ m₀₁₀ \| 1/3 1/3 0 }
19	-y,-x+1/3,-z+1/2,-1	{ 2'_1-10 \| 0 1/3 1/2 }
20	x+1/3,x-y+1/3,-z+1/2,-1	{ 2'₂₁₀ \| 1/3 1/3 1/2 }
21	-x+y+1/3,y+2/3,-z+1/2,-1	{ 2'₁₂₀ \| 1/3 2/3 1/2 }
22	-x+y+1/3,-x+1/3,-z+1/2,-1	{ -6'⁺₀₀₁ \| 1/3 1/3 1/2 }
23	x+1/3,y+2/3,-z+1/2,-1	{ m'₀₀₁ \| 1/3 2/3 1/2 }
24	-y,x-y+1/3,-z+1/2,-1	{ -6'^-₀₀₁ \| 0 1/3 1/2 }
(2/3,1/3,0) + set click here to show and hide
25	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
26	-y+1/3,x-y,z,+1	{ 3⁺₀₀₁ \| 1/3 0 0 }
27	-x+y+2/3,-x,z,+1	{ 3^-₀₀₁ \| 2/3 0 0 }
28	-x+y+2/3,y+1/3,z,+1	{ m₁₀₀ \| 2/3 1/3 0 }
29	-y+1/3,-x,z,+1	{ m₁₁₀ \| 1/3 0 0 }
30	x+2/3,x-y,z,+1	{ m₀₁₀ \| 2/3 0 0 }
31	-y+1/3,-x,-z+1/2,-1	{ 2'_1-10 \| 1/3 0 1/2 }
32	x+2/3,x-y,-z+1/2,-1	{ 2'₂₁₀ \| 2/3 0 1/2 }
33	-x+y+2/3,y+1/3,-z+1/2,-1	{ 2'₁₂₀ \| 2/3 1/3 1/2 }
34	-x+y+2/3,-x,-z+1/2,-1	{ -6'⁺₀₀₁ \| 2/3 0 1/2 }
35	x+2/3,y+1/3,-z+1/2,-1	{ m'₀₀₁ \| 2/3 1/3 1/2 }
36	-y+1/3,x-y,-z+1/2,-1	{ -6'^-₀₀₁ \| 1/3 0 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x+y,y,z,+1	m₁₀₀
5	-y,-x,z,+1	m₁₁₀
6	x,x-y,z,+1	m₀₁₀
7	-y,-x,-z,-1	2'_1-10
8	x,x-y,-z,-1	2'₂₁₀
9	-x+y,y,-z,-1	2'₁₂₀
10	-x+y,-x,-z,-1	-6'⁺₀₀₁
11	x,y,-z,-1	m'₀₀₁
12	-y,x-y,-z,-1	-6'^-₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Th1_1	Th	0.11111	0.22222	0.06200	18	m_x,0,0	0.0	0.00
Th1_2	Th	0.22222	0.11111	0.56200	12	0,0,m_z	0.0	0.00
Th1_3	Th	0.22222	0.44444	0.56200	6	0,0,0	0.0	0.00
Mn1	Mn	0.00000	0.00000	0.00000	18	m_x,0,0	0.0	0.00
Mn2_1	Mn	0.27767	0.55534	0.25000	9	m_x,0,0	-1.6(1)	1.60
Mn2_2	Mn	0.44467	0.72233	0.25000	18	m_x,m_y,0	-1.6	1.60
Mn2_3	Mn	0.72233	0.44467	0.75000	9	m_x,0,0	1.6	1.60
Mn2_4	Mn	0.55533	0.27767	0.75000	18	m_x,m_y,0	1.6	1.60

[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 Th1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11111	0.22222	0.06200	m_x,0,0	0.00000	0.00000	0.00000
2	0.44445	0.55556	0.06200	0,m_x,0	0.00000	0.00000	0.00000
3	0.11111	0.55556	0.06200	-m_x,-m_x,0	0.00000	0.00000	0.00000
4	0.44445	0.55556	0.43800	0,m_x,0	0.00000	0.00000	0.00000
5	0.11111	0.55556	0.43800	-m_x,-m_x,0	0.00000	0.00000	0.00000
6	0.11111	0.22222	0.43800	m_x,0,0	0.00000	0.00000	0.00000
(1/3,2/3,0) + set click here to show and hide
7	0.44444	0.88889	0.06200	m_x,0,0	0.00000	0.00000	0.00000
8	0.77778	0.22222	0.06200	0,m_x,0	0.00000	0.00000	0.00000
9	0.44444	0.22222	0.06200	-m_x,-m_x,0	0.00000	0.00000	0.00000
10	0.77778	0.22222	0.43800	0,m_x,0	0.00000	0.00000	0.00000
11	0.44444	0.22222	0.43800	-m_x,-m_x,0	0.00000	0.00000	0.00000
12	0.44444	0.88889	0.43800	m_x,0,0	0.00000	0.00000	0.00000
(2/3,1/3,0) + set click here to show and hide
13	0.77778	0.55555	0.06200	m_x,0,0	0.00000	0.00000	0.00000
14	0.11111	0.88889	0.06200	0,m_x,0	0.00000	0.00000	0.00000
15	0.77778	0.88889	0.06200	-m_x,-m_x,0	0.00000	0.00000	0.00000
16	0.11111	0.88889	0.43800	0,m_x,0	0.00000	0.00000	0.00000
17	0.77778	0.88889	0.43800	-m_x,-m_x,0	0.00000	0.00000	0.00000
18	0.77778	0.55555	0.43800	m_x,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Th1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22222	0.11111	0.56200	0,0,m_z	0.00000	0.00000	0.00000
2	0.88889	0.11111	0.56200	0,0,-m_z	0.00000	0.00000	0.00000
3	0.55556	0.44445	0.93800	0,0,m_z	0.00000	0.00000	0.00000
4	0.88889	0.44445	0.93800	0,0,-m_z	0.00000	0.00000	0.00000
(1/3,2/3,0) + set click here to show and hide
5	0.55555	0.77778	0.56200	0,0,m_z	0.00000	0.00000	0.00000
6	0.22222	0.77778	0.56200	0,0,-m_z	0.00000	0.00000	0.00000
7	0.88889	0.11111	0.93800	0,0,m_z	0.00000	0.00000	0.00000
8	0.22222	0.11111	0.93800	0,0,-m_z	0.00000	0.00000	0.00000
(2/3,1/3,0) + set click here to show and hide
9	0.88889	0.44444	0.56200	0,0,m_z	0.00000	0.00000	0.00000
10	0.55556	0.44444	0.56200	0,0,-m_z	0.00000	0.00000	0.00000
11	0.22222	0.77778	0.93800	0,0,m_z	0.00000	0.00000	0.00000
12	0.55556	0.77778	0.93800	0,0,-m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Th1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22222	0.44444	0.56200	0,0,0	0.00000	0.00000	0.00000
2	0.22223	0.44445	0.93800	0,0,0	0.00000	0.00000	0.00000
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.11111	0.56200	0,0,0	0.00000	0.00000	0.00000
4	0.55556	0.11111	0.93800	0,0,0	0.00000	0.00000	0.00000
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.77777	0.56200	0,0,0	0.00000	0.00000	0.00000
6	0.88889	0.77778	0.93800	0,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	0.00000	0.00000	0.00000
2	0.66667	0.66667	0.00000	0,m_x,0	0.00000	0.00000	0.00000
3	0.00000	0.66667	0.00000	-m_x,-m_x,0	0.00000	0.00000	0.00000
4	0.66667	0.66667	0.50000	0,m_x,0	0.00000	0.00000	0.00000
5	0.00000	0.66667	0.50000	-m_x,-m_x,0	0.00000	0.00000	0.00000
6	0.00000	0.00000	0.50000	m_x,0,0	0.00000	0.00000	0.00000
(1/3,2/3,0) + set click here to show and hide
7	0.33333	0.66667	0.00000	m_x,0,0	0.00000	0.00000	0.00000
8	0.00000	0.33333	0.00000	0,m_x,0	0.00000	0.00000	0.00000
9	0.33333	0.33333	0.00000	-m_x,-m_x,0	0.00000	0.00000	0.00000
10	0.00000	0.33333	0.50000	0,m_x,0	0.00000	0.00000	0.00000
11	0.33333	0.33333	0.50000	-m_x,-m_x,0	0.00000	0.00000	0.00000
12	0.33333	0.66667	0.50000	m_x,0,0	0.00000	0.00000	0.00000
(2/3,1/3,0) + set click here to show and hide
13	0.66667	0.33333	0.00000	m_x,0,0	0.00000	0.00000	0.00000
14	0.33333	0.00000	0.00000	0,m_x,0	0.00000	0.00000	0.00000
15	0.66667	0.00000	0.00000	-m_x,-m_x,0	0.00000	0.00000	0.00000
16	0.33333	0.00000	0.50000	0,m_x,0	0.00000	0.00000	0.00000
17	0.66667	0.00000	0.50000	-m_x,-m_x,0	0.00000	0.00000	0.00000
18	0.66667	0.33333	0.50000	m_x,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.27767	0.55534	0.25000	m_x,0,0	-1.60000	0.00000	0.00000
2	0.11133	0.38900	0.25000	0,m_x,0	0.00000	-1.60000	0.00000
3	0.27767	0.38900	0.25000	-m_x,-m_x,0	1.60000	1.60000	0.00000
(1/3,2/3,0) + set click here to show and hide
4	0.61100	0.22201	0.25000	m_x,0,0	-1.60000	0.00000	0.00000
5	0.44466	0.05566	0.25000	0,m_x,0	0.00000	-1.60000	0.00000
6	0.61100	0.05566	0.25000	-m_x,-m_x,0	1.60000	1.60000	0.00000
(2/3,1/3,0) + set click here to show and hide
7	0.94434	0.88867	0.25000	m_x,0,0	-1.60000	0.00000	0.00000
8	0.77799	0.72233	0.25000	0,m_x,0	0.00000	-1.60000	0.00000
9	0.94434	0.72233	0.25000	-m_x,-m_x,0	1.60000	1.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.44467	0.72233	0.25000	m_x,m_y,0	-1.60000	0.00000	0.00000
2	0.94434	0.38901	0.25000	-m_y,m_x-m_y,0	0.00000	-1.60000	0.00000
3	0.27766	0.22200	0.25000	-m_x+m_y,-m_x,0	1.60000	1.60000	0.00000
4	0.27766	0.72233	0.25000	m_x-m_y,-m_y,0	-1.60000	0.00000	0.00000
5	0.94434	0.22200	0.25000	m_y,m_x,0	0.00000	-1.60000	0.00000
6	0.44467	0.38901	0.25000	-m_x,-m_x+m_y,0	1.60000	1.60000	0.00000
(1/3,2/3,0) + set click here to show and hide
7	0.77800	0.38900	0.25000	m_x,m_y,0	-1.60000	0.00000	0.00000
8	0.27767	0.05567	0.25000	-m_y,m_x-m_y,0	0.00000	-1.60000	0.00000
9	0.61099	0.88866	0.25000	-m_x+m_y,-m_x,0	1.60000	1.60000	0.00000
10	0.61099	0.38900	0.25000	m_x-m_y,-m_y,0	-1.60000	0.00000	0.00000
11	0.27767	0.88866	0.25000	m_y,m_x,0	0.00000	-1.60000	0.00000
12	0.77800	0.05567	0.25000	-m_x,-m_x+m_y,0	1.60000	1.60000	0.00000
(2/3,1/3,0) + set click here to show and hide
13	0.11134	0.05566	0.25000	m_x,m_y,0	-1.60000	0.00000	0.00000
14	0.61100	0.72234	0.25000	-m_y,m_x-m_y,0	0.00000	-1.60000	0.00000
15	0.94433	0.55533	0.25000	-m_x+m_y,-m_x,0	1.60000	1.60000	0.00000
16	0.94433	0.05566	0.25000	m_x-m_y,-m_y,0	-1.60000	0.00000	0.00000
17	0.61100	0.55533	0.25000	m_y,m_x,0	0.00000	-1.60000	0.00000
18	0.11134	0.72234	0.25000	-m_x,-m_x+m_y,0	1.60000	1.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.72233	0.44467	0.75000	m_x,0,0	1.60000	0.00000	0.00000
2	0.22200	0.94433	0.75000	0,m_x,0	0.00000	1.60000	0.00000
3	0.72234	0.94434	0.75000	-m_x,-m_x,0	-1.60000	-1.60000	0.00000
(1/3,2/3,0) + set click here to show and hide
4	0.05566	0.11134	0.75000	m_x,0,0	1.60000	0.00000	0.00000
5	0.55533	0.61099	0.75000	0,m_x,0	0.00000	1.60000	0.00000
6	0.05567	0.61100	0.75000	-m_x,-m_x,0	-1.60000	-1.60000	0.00000
(2/3,1/3,0) + set click here to show and hide
7	0.38900	0.77800	0.75000	m_x,0,0	1.60000	0.00000	0.00000
8	0.88866	0.27766	0.75000	0,m_x,0	0.00000	1.60000	0.00000
9	0.38901	0.27767	0.75000	-m_x,-m_x,0	-1.60000	-1.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.55533	0.27767	0.75000	m_x,m_y,0	1.60000	0.00000	0.00000
2	0.38900	0.94433	0.75000	-m_y,m_x-m_y,0	0.00000	1.60000	0.00000
3	0.72234	0.11134	0.75000	-m_x+m_y,-m_x,0	-1.60000	-1.60000	0.00000
4	0.72234	0.27767	0.75000	m_x-m_y,-m_y,0	1.60000	0.00000	0.00000
5	0.38900	0.11134	0.75000	m_y,m_x,0	0.00000	1.60000	0.00000
6	0.55533	0.94433	0.75000	-m_x,-m_x+m_y,0	-1.60000	-1.60000	0.00000
(1/3,2/3,0) + set click here to show and hide
7	0.88866	0.94434	0.75000	m_x,m_y,0	1.60000	0.00000	0.00000
8	0.72233	0.61099	0.75000	-m_y,m_x-m_y,0	0.00000	1.60000	0.00000
9	0.05567	0.77800	0.75000	-m_x+m_y,-m_x,0	-1.60000	-1.60000	0.00000
10	0.05567	0.94434	0.75000	m_x-m_y,-m_y,0	1.60000	0.00000	0.00000
11	0.72233	0.77800	0.75000	m_y,m_x,0	0.00000	1.60000	0.00000
12	0.88866	0.61099	0.75000	-m_x,-m_x+m_y,0	-1.60000	-1.60000	0.00000
(2/3,1/3,0) + set click here to show and hide
13	0.22200	0.61100	0.75000	m_x,m_y,0	1.60000	0.00000	0.00000
14	0.05566	0.27766	0.75000	-m_y,m_x-m_y,0	0.00000	1.60000	0.00000
15	0.38901	0.44467	0.75000	-m_x+m_y,-m_x,0	-1.60000	-1.60000	0.00000
16	0.38901	0.61100	0.75000	m_x-m_y,-m_y,0	1.60000	0.00000	0.00000
17	0.05566	0.44467	0.75000	m_y,m_x,0	0.00000	1.60000	0.00000
18	0.22200	0.27766	0.75000	-m_x,-m_x+m_y,0	-1.60000	-1.60000	0.00000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Th1_1	Th	0.11111	0.22222	0.06200	18	m_x,0,0	0.0	0.00
Th1_2	Th	0.22222	0.11111	0.56200	12	0,0,m_z	0.0	0.00
Th1_3	Th	0.22222	0.44444	0.56200	6	0,0,0	0.0	0.00
Mn1	Mn	0.00000	0.00000	0.00000	18	m_x,0,0	0.0	0.00
Mn2_1	Mn	0.27767	0.55534	0.25000	9	m_x,0,0	-1.6(1)	1.60
Mn2_2	Mn	0.44467	0.72233	0.25000	18	m_x,m_y,0	-1.6	1.60
Mn2_3	Mn	0.72233	0.44467	0.75000	9	m_x,0,0	1.6	1.60
Mn2_4	Mn	0.55533	0.27767	0.75000	18	m_x,m_y,0	1.6	1.60

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: