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,x,-z,+1	{ 2₁₁₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-y,-x,z,+1	{ m₁₁₀ \| 0 }
(1/4,3/4,1/4) + set click here to show and hide
5	x+1/4,y+3/4,z+1/4,+1	{ 1 \| 1/4 3/4 1/4 }
6	y+1/4,x+3/4,-z+1/4,+1	{ 2₁₁₀ \| 1/4 3/4 1/4 }
7	-x+1/4,-y+3/4,-z+1/4,+1	{ -1 \| 1/4 3/4 1/4 }
8	-y+1/4,-x+3/4,z+1/4,+1	{ m₁₁₀ \| 1/4 3/4 1/4 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	y+1/2,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 1/2 1/2 1/2 }
11	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
12	-y+1/2,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 1/2 1/2 1/2 }
(3/4,1/4,3/4) + set click here to show and hide
13	x+3/4,y+1/4,z+3/4,+1	{ 1 \| 3/4 1/4 3/4 }
14	y+3/4,x+1/4,-z+3/4,+1	{ 2₁₁₀ \| 3/4 1/4 3/4 }
15	-x+3/4,-y+1/4,-z+3/4,+1	{ -1 \| 3/4 1/4 3/4 }
16	-y+3/4,-x+1/4,z+3/4,+1	{ m₁₁₀ \| 3/4 1/4 3/4 }
(1/2,1/2,0)' + set click here to show and hide
17	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
18	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
19	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
20	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
(3/4,1/4,1/4)' + set click here to show and hide
21	x+3/4,y+1/4,z+1/4,-1	{ 1' \| 3/4 1/4 1/4 }
22	y+3/4,x+1/4,-z+1/4,-1	{ 2'₁₁₀ \| 3/4 1/4 1/4 }
23	-x+3/4,-y+1/4,-z+1/4,-1	{ -1' \| 3/4 1/4 1/4 }
24	-y+3/4,-x+1/4,z+1/4,-1	{ m'₁₁₀ \| 3/4 1/4 1/4 }
(0,0,1/2)' + set click here to show and hide
25	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
26	y,x,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
27	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
28	-y,-x,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
(1/4,3/4,3/4)' + set click here to show and hide
29	x+1/4,y+3/4,z+3/4,-1	{ 1' \| 1/4 3/4 3/4 }
30	y+1/4,x+3/4,-z+3/4,-1	{ 2'₁₁₀ \| 1/4 3/4 3/4 }
31	-x+1/4,-y+3/4,-z+3/4,-1	{ -1' \| 1/4 3/4 3/4 }
32	-y+1/4,-x+3/4,z+3/4,-1	{ m'₁₁₀ \| 1/4 3/4 3/4 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,x,-z,+1	2₁₁₀
3	-x,-y,-z,+1	-1
4	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	y,x,-z,-1	2'₁₁₀
7	-x,-y,-z,-1	-1'
8	-y,-x,z,-1	m'₁₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe_1	Fe	0.50000	0.75000	0.00000	32	m_x,m_y,m_z	3.3(1)	0.0	0.0	3.30

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr_1	Sr	0.00000	0.00000	0.83490	16
Sr_2	Sr	0.00000	0.50000	0.83490	16
F_1	F	0.25000	0.00000	0.87500	16
F_2	F	0.75000	0.00000	0.87500	16
O_1	O	0.25000	0.75000	0.00000	8
O_2	O	0.75000	0.75000	0.00000	8
S_1	S	0.75000	0.25000	0.79675	16
S_2	S	0.75000	0.75000	0.79675	16

[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 Fe_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.75000	0.00000	m_x,m_y,m_z	3.30000	0.00000	0.00000
2	0.75000	0.50000	0.00000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
3	0.50000	0.25000	0.00000	m_x,m_y,m_z	3.30000	0.00000	0.00000
4	0.25000	0.50000	0.00000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
(1/4,3/4,1/4) + set click here to show and hide
5	0.75000	0.50000	0.25000	m_x,m_y,m_z	3.30000	0.00000	0.00000
6	0.00000	0.25000	0.25000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
7	0.75000	0.00000	0.25000	m_x,m_y,m_z	3.30000	0.00000	0.00000
8	0.50000	0.25000	0.25000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.00000	0.25000	0.50000	m_x,m_y,m_z	3.30000	0.00000	0.00000
10	0.25000	0.00000	0.50000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
11	0.00000	0.75000	0.50000	m_x,m_y,m_z	3.30000	0.00000	0.00000
12	0.75000	0.00000	0.50000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
(3/4,1/4,3/4) + set click here to show and hide
13	0.25000	0.00000	0.75000	m_x,m_y,m_z	3.30000	0.00000	0.00000
14	0.50000	0.75000	0.75000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
15	0.25000	0.50000	0.75000	m_x,m_y,m_z	3.30000	0.00000	0.00000
16	0.00000	0.75000	0.75000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
(1/2,1/2,0)' + set click here to show and hide
17	0.00000	0.25000	0.00000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
18	0.25000	0.00000	0.00000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
19	0.00000	0.75000	0.00000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
20	0.75000	0.00000	0.00000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
(3/4,1/4,1/4)' + set click here to show and hide
21	0.25000	0.00000	0.25000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
22	0.50000	0.75000	0.25000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
23	0.25000	0.50000	0.25000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
24	0.00000	0.75000	0.25000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
(0,0,1/2)' + set click here to show and hide
25	0.50000	0.75000	0.50000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
26	0.75000	0.50000	0.50000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
27	0.50000	0.25000	0.50000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
28	0.25000	0.50000	0.50000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
(1/4,3/4,3/4)' + set click here to show and hide
29	0.75000	0.50000	0.75000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
30	0.00000	0.25000	0.75000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
31	0.75000	0.00000	0.75000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
32	0.50000	0.25000	0.75000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr_1:

Atom	x	y	z
1	0.00000	0.00000	0.83490
2	0.00000	0.00000	0.16510
(1/4,3/4,1/4) + set click here to show and hide
3	0.25000	0.75000	0.08490
4	0.25000	0.75000	0.41510
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.33490
6	0.50000	0.50000	0.66510
(3/4,1/4,3/4) + set click here to show and hide
7	0.75000	0.25000	0.58490
8	0.75000	0.25000	0.91510
(1/2,1/2,0)' + set click here to show and hide
9	0.50000	0.50000	0.83490
10	0.50000	0.50000	0.16510
(3/4,1/4,1/4)' + set click here to show and hide
11	0.75000	0.25000	0.08490
12	0.75000	0.25000	0.41510
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.00000	0.33490
14	0.00000	0.00000	0.66510
(1/4,3/4,3/4)' + set click here to show and hide
15	0.25000	0.75000	0.58490
16	0.25000	0.75000	0.91510

Set of atoms in the unit cell related by symmetry with the atom Sr_2:

Atom	x	y	z
1	0.00000	0.50000	0.83490
2	0.50000	0.00000	0.16510
(1/4,3/4,1/4) + set click here to show and hide
3	0.25000	0.25000	0.08490
4	0.75000	0.75000	0.41510
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.33490
6	0.00000	0.50000	0.66510
(3/4,1/4,3/4) + set click here to show and hide
7	0.75000	0.75000	0.58490
8	0.25000	0.25000	0.91510
(1/2,1/2,0)' + set click here to show and hide
9	0.50000	0.00000	0.83490
10	0.00000	0.50000	0.16510
(3/4,1/4,1/4)' + set click here to show and hide
11	0.75000	0.75000	0.08490
12	0.25000	0.25000	0.41510
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.50000	0.33490
14	0.50000	0.00000	0.66510
(1/4,3/4,3/4)' + set click here to show and hide
15	0.25000	0.25000	0.58490
16	0.75000	0.75000	0.91510

Set of atoms in the unit cell related by symmetry with the atom F_1:

Atom	x	y	z
1	0.25000	0.00000	0.87500
2	0.75000	0.00000	0.12500
(1/4,3/4,1/4) + set click here to show and hide
3	0.50000	0.75000	0.12500
4	0.00000	0.75000	0.37500
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.50000	0.37500
6	0.25000	0.50000	0.62500
(3/4,1/4,3/4) + set click here to show and hide
7	0.00000	0.25000	0.62500
8	0.50000	0.25000	0.87500
(1/2,1/2,0)' + set click here to show and hide
9	0.75000	0.50000	0.87500
10	0.25000	0.50000	0.12500
(3/4,1/4,1/4)' + set click here to show and hide
11	0.00000	0.25000	0.12500
12	0.50000	0.25000	0.37500
(0,0,1/2)' + set click here to show and hide
13	0.25000	0.00000	0.37500
14	0.75000	0.00000	0.62500
(1/4,3/4,3/4)' + set click here to show and hide
15	0.50000	0.75000	0.62500
16	0.00000	0.75000	0.87500

Set of atoms in the unit cell related by symmetry with the atom F_2:

Atom	x	y	z
1	0.75000	0.00000	0.87500
2	0.25000	0.00000	0.12500
(1/4,3/4,1/4) + set click here to show and hide
3	0.00000	0.75000	0.12500
4	0.50000	0.75000	0.37500
(1/2,1/2,1/2) + set click here to show and hide
5	0.25000	0.50000	0.37500
6	0.75000	0.50000	0.62500
(3/4,1/4,3/4) + set click here to show and hide
7	0.50000	0.25000	0.62500
8	0.00000	0.25000	0.87500
(1/2,1/2,0)' + set click here to show and hide
9	0.25000	0.50000	0.87500
10	0.75000	0.50000	0.12500
(3/4,1/4,1/4)' + set click here to show and hide
11	0.50000	0.25000	0.12500
12	0.00000	0.25000	0.37500
(0,0,1/2)' + set click here to show and hide
13	0.75000	0.00000	0.37500
14	0.25000	0.00000	0.62500
(1/4,3/4,3/4)' + set click here to show and hide
15	0.00000	0.75000	0.62500
16	0.50000	0.75000	0.87500

Set of atoms in the unit cell related by symmetry with the atom O_1:

Atom	x	y	z
1	0.25000	0.75000	0.00000
(1/4,3/4,1/4) + set click here to show and hide
2	0.50000	0.50000	0.25000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.25000	0.50000
(3/4,1/4,3/4) + set click here to show and hide
4	0.00000	0.00000	0.75000
(1/2,1/2,0)' + set click here to show and hide
5	0.75000	0.25000	0.00000
(3/4,1/4,1/4)' + set click here to show and hide
6	0.00000	0.00000	0.25000
(0,0,1/2)' + set click here to show and hide
7	0.25000	0.75000	0.50000
(1/4,3/4,3/4)' + set click here to show and hide
8	0.50000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom O_2:

Atom	x	y	z
1	0.75000	0.75000	0.00000
(1/4,3/4,1/4) + set click here to show and hide
2	0.00000	0.50000	0.25000
(1/2,1/2,1/2) + set click here to show and hide
3	0.25000	0.25000	0.50000
(3/4,1/4,3/4) + set click here to show and hide
4	0.50000	0.00000	0.75000
(1/2,1/2,0)' + set click here to show and hide
5	0.25000	0.25000	0.00000
(3/4,1/4,1/4)' + set click here to show and hide
6	0.50000	0.00000	0.25000
(0,0,1/2)' + set click here to show and hide
7	0.75000	0.75000	0.50000
(1/4,3/4,3/4)' + set click here to show and hide
8	0.00000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom S_1:

Atom	x	y	z
1	0.75000	0.25000	0.79675
2	0.25000	0.75000	0.20325
(1/4,3/4,1/4) + set click here to show and hide
3	0.00000	0.00000	0.04675
4	0.50000	0.50000	0.45325
(1/2,1/2,1/2) + set click here to show and hide
5	0.25000	0.75000	0.29675
6	0.75000	0.25000	0.70325
(3/4,1/4,3/4) + set click here to show and hide
7	0.50000	0.50000	0.54675
8	0.00000	0.00000	0.95325
(1/2,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.79675
10	0.75000	0.25000	0.20325
(3/4,1/4,1/4)' + set click here to show and hide
11	0.50000	0.50000	0.04675
12	0.00000	0.00000	0.45325
(0,0,1/2)' + set click here to show and hide
13	0.75000	0.25000	0.29675
14	0.25000	0.75000	0.70325
(1/4,3/4,3/4)' + set click here to show and hide
15	0.00000	0.00000	0.54675
16	0.50000	0.50000	0.95325

Set of atoms in the unit cell related by symmetry with the atom S_2:

Atom	x	y	z
1	0.75000	0.75000	0.79675
2	0.75000	0.75000	0.20325
(1/4,3/4,1/4) + set click here to show and hide
3	0.00000	0.50000	0.04675
4	0.00000	0.50000	0.45325
(1/2,1/2,1/2) + set click here to show and hide
5	0.25000	0.25000	0.29675
6	0.25000	0.25000	0.70325
(3/4,1/4,3/4) + set click here to show and hide
7	0.50000	0.00000	0.54675
8	0.50000	0.00000	0.95325
(1/2,1/2,0)' + set click here to show and hide
9	0.25000	0.25000	0.79675
10	0.25000	0.25000	0.20325
(3/4,1/4,1/4)' + set click here to show and hide
11	0.50000	0.00000	0.04675
12	0.50000	0.00000	0.45325
(0,0,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.29675
14	0.75000	0.75000	0.70325
(1/4,3/4,3/4)' + set click here to show and hide
15	0.00000	0.50000	0.54675
16	0.00000	0.50000	0.95325

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe_1	Fe	0.50000	0.75000	0.00000	32	m_x,m_y,m_z	3.3(1)	0.0	0.0	3.30

[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:

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.75000	0.00000	m_x,m_y,m_z	3.30000	0.00000	0.00000
2	0.75000	0.50000	0.00000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
3	0.50000	0.25000	0.00000	m_x,m_y,m_z	3.30000	0.00000	0.00000
4	0.25000	0.50000	0.00000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
(1/4,3/4,1/4) + set click here to show and hide
5	0.75000	0.50000	0.25000	m_x,m_y,m_z	3.30000	0.00000	0.00000
6	0.00000	0.25000	0.25000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
7	0.75000	0.00000	0.25000	m_x,m_y,m_z	3.30000	0.00000	0.00000
8	0.50000	0.25000	0.25000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.00000	0.25000	0.50000	m_x,m_y,m_z	3.30000	0.00000	0.00000
10	0.25000	0.00000	0.50000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
11	0.00000	0.75000	0.50000	m_x,m_y,m_z	3.30000	0.00000	0.00000
12	0.75000	0.00000	0.50000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
(3/4,1/4,3/4) + set click here to show and hide
13	0.25000	0.00000	0.75000	m_x,m_y,m_z	3.30000	0.00000	0.00000
14	0.50000	0.75000	0.75000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
15	0.25000	0.50000	0.75000	m_x,m_y,m_z	3.30000	0.00000	0.00000
16	0.00000	0.75000	0.75000	m_y,m_x,-m_z	0.00000	3.30000	0.00000
(1/2,1/2,0)' + set click here to show and hide
17	0.00000	0.25000	0.00000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
18	0.25000	0.00000	0.00000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
19	0.00000	0.75000	0.00000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
20	0.75000	0.00000	0.00000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
(3/4,1/4,1/4)' + set click here to show and hide
21	0.25000	0.00000	0.25000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
22	0.50000	0.75000	0.25000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
23	0.25000	0.50000	0.25000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
24	0.00000	0.75000	0.25000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
(0,0,1/2)' + set click here to show and hide
25	0.50000	0.75000	0.50000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
26	0.75000	0.50000	0.50000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
27	0.50000	0.25000	0.50000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
28	0.25000	0.50000	0.50000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
(1/4,3/4,3/4)' + set click here to show and hide
29	0.75000	0.50000	0.75000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
30	0.00000	0.25000	0.75000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000
31	0.75000	0.00000	0.75000	-m_x,-m_y,-m_z	-3.30000	0.00000	0.00000
32	0.50000	0.25000	0.75000	-m_y,-m_x,m_z	0.00000	-3.30000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action
mN2+	4	1	special-2	primary
mN1+	4	1	special-2	secondary

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

Sr₂F₂Fe₂OS₂ (#2.2)

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

Sr2F2Fe2OS2 (#2.2)

Sr₂F₂Fe₂OS₂ (#2.2)