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 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	y,x,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
19	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
20	-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
21	x+1/4,y+3/4,z+3/4,-1	{ 1' \| 1/4 3/4 3/4 }
22	y+1/4,x+3/4,-z+3/4,-1	{ 2'₁₁₀ \| 1/4 3/4 3/4 }
23	-x+1/4,-y+3/4,-z+3/4,-1	{ -1' \| 1/4 3/4 3/4 }
24	-y+1/4,-x+3/4,z+3/4,-1	{ m'₁₁₀ \| 1/4 3/4 3/4 }
(1/2,1/2,0)' + set click here to show and hide
25	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
26	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
27	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
28	-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
29	x+3/4,y+1/4,z+1/4,-1	{ 1' \| 3/4 1/4 1/4 }
30	y+3/4,x+1/4,-z+1/4,-1	{ 2'₁₁₀ \| 3/4 1/4 1/4 }
31	-x+3/4,-y+1/4,-z+1/4,-1	{ -1' \| 3/4 1/4 1/4 }
32	-y+3/4,-x+1/4,z+1/4,-1	{ m'₁₁₀ \| 3/4 1/4 1/4 }

[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\|
Fe1	Fe	0.00000	0.25000	0.00000	32	m_x,m_y,m_z	3.50(5)	0.0	0.0	3.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.00000	0.25000	0.12500	16
O1_2	O	0.25000	0.00000	0.12500	16
O2_1	O	0.00000	0.00000	0.25000	8
O2_2	O	0.25000	0.25000	0.00000	8
La1_1	La	0.00000	0.00000	0.34216	16
La1_2	La	0.25000	0.25000	0.59216	16
Se1_1	Se	0.00000	0.00000	0.04782	16
Se1_2	Se	0.25000	0.25000	0.29782	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	3.50000	0.00000	0.00000
2	0.25000	0.00000	0.00000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
3	0.00000	0.75000	0.00000	m_x,m_y,m_z	3.50000	0.00000	0.00000
4	0.75000	0.00000	0.00000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
(1/4,3/4,1/4) + set click here to show and hide
5	0.25000	0.00000	0.25000	m_x,m_y,m_z	3.50000	0.00000	0.00000
6	0.50000	0.75000	0.25000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
7	0.25000	0.50000	0.25000	m_x,m_y,m_z	3.50000	0.00000	0.00000
8	0.00000	0.75000	0.25000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.75000	0.50000	m_x,m_y,m_z	3.50000	0.00000	0.00000
10	0.75000	0.50000	0.50000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
11	0.50000	0.25000	0.50000	m_x,m_y,m_z	3.50000	0.00000	0.00000
12	0.25000	0.50000	0.50000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
(3/4,1/4,3/4) + set click here to show and hide
13	0.75000	0.50000	0.75000	m_x,m_y,m_z	3.50000	0.00000	0.00000
14	0.00000	0.25000	0.75000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
15	0.75000	0.00000	0.75000	m_x,m_y,m_z	3.50000	0.00000	0.00000
16	0.50000	0.25000	0.75000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.25000	0.50000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
18	0.25000	0.00000	0.50000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
19	0.00000	0.75000	0.50000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
20	0.75000	0.00000	0.50000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
(1/4,3/4,3/4)' + set click here to show and hide
21	0.25000	0.00000	0.75000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
22	0.50000	0.75000	0.75000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
23	0.25000	0.50000	0.75000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
24	0.00000	0.75000	0.75000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
(1/2,1/2,0)' + set click here to show and hide
25	0.50000	0.75000	0.00000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
26	0.75000	0.50000	0.00000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
27	0.50000	0.25000	0.00000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
28	0.25000	0.50000	0.00000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
(3/4,1/4,1/4)' + set click here to show and hide
29	0.75000	0.50000	0.25000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
30	0.00000	0.25000	0.25000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
31	0.75000	0.00000	0.25000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
32	0.50000	0.25000	0.25000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O1_1:

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

Set of atoms in the unit cell related by symmetry with the atom O1_2:

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

Set of atoms in the unit cell related by symmetry with the atom O2_1:

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

Set of atoms in the unit cell related by symmetry with the atom O2_2:

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

Set of atoms in the unit cell related by symmetry with the atom La1_1:

Atom	x	y	z
1	0.00000	0.00000	0.34216
2	0.00000	0.00000	0.65784
(1/4,3/4,1/4) + set click here to show and hide
3	0.25000	0.75000	0.59216
4	0.25000	0.75000	0.90784
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.84216
6	0.50000	0.50000	0.15784
(3/4,1/4,3/4) + set click here to show and hide
7	0.75000	0.25000	0.09216
8	0.75000	0.25000	0.40784
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.84216
10	0.00000	0.00000	0.15784
(1/4,3/4,3/4)' + set click here to show and hide
11	0.25000	0.75000	0.09216
12	0.25000	0.75000	0.40784
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.50000	0.34216
14	0.50000	0.50000	0.65784
(3/4,1/4,1/4)' + set click here to show and hide
15	0.75000	0.25000	0.59216
16	0.75000	0.25000	0.90784

Set of atoms in the unit cell related by symmetry with the atom La1_2:

Atom	x	y	z
1	0.25000	0.25000	0.59216
2	0.25000	0.25000	0.40784
(1/4,3/4,1/4) + set click here to show and hide
3	0.50000	0.00000	0.84216
4	0.50000	0.00000	0.65784
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.75000	0.09216
6	0.75000	0.75000	0.90784
(3/4,1/4,3/4) + set click here to show and hide
7	0.00000	0.50000	0.34216
8	0.00000	0.50000	0.15784
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.09216
10	0.25000	0.25000	0.90784
(1/4,3/4,3/4)' + set click here to show and hide
11	0.50000	0.00000	0.34216
12	0.50000	0.00000	0.15784
(1/2,1/2,0)' + set click here to show and hide
13	0.75000	0.75000	0.59216
14	0.75000	0.75000	0.40784
(3/4,1/4,1/4)' + set click here to show and hide
15	0.00000	0.50000	0.84216
16	0.00000	0.50000	0.65784

Set of atoms in the unit cell related by symmetry with the atom Se1_1:

Atom	x	y	z
1	0.00000	0.00000	0.04782
2	0.00000	0.00000	0.95218
(1/4,3/4,1/4) + set click here to show and hide
3	0.25000	0.75000	0.29782
4	0.25000	0.75000	0.20218
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.54782
6	0.50000	0.50000	0.45218
(3/4,1/4,3/4) + set click here to show and hide
7	0.75000	0.25000	0.79782
8	0.75000	0.25000	0.70218
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.54782
10	0.00000	0.00000	0.45218
(1/4,3/4,3/4)' + set click here to show and hide
11	0.25000	0.75000	0.79782
12	0.25000	0.75000	0.70218
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.50000	0.04782
14	0.50000	0.50000	0.95218
(3/4,1/4,1/4)' + set click here to show and hide
15	0.75000	0.25000	0.29782
16	0.75000	0.25000	0.20218

Set of atoms in the unit cell related by symmetry with the atom Se1_2:

Atom	x	y	z
1	0.25000	0.25000	0.29782
2	0.25000	0.25000	0.70218
(1/4,3/4,1/4) + set click here to show and hide
3	0.50000	0.00000	0.54782
4	0.50000	0.00000	0.95218
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.75000	0.79782
6	0.75000	0.75000	0.20218
(3/4,1/4,3/4) + set click here to show and hide
7	0.00000	0.50000	0.04782
8	0.00000	0.50000	0.45218
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.79782
10	0.25000	0.25000	0.20218
(1/4,3/4,3/4)' + set click here to show and hide
11	0.50000	0.00000	0.04782
12	0.50000	0.00000	0.45218
(1/2,1/2,0)' + set click here to show and hide
13	0.75000	0.75000	0.29782
14	0.75000	0.75000	0.70218
(3/4,1/4,1/4)' + set click here to show and hide
15	0.00000	0.50000	0.54782
16	0.00000	0.50000	0.95218

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.25000	0.00000	32	m_x,m_y,m_z	3.50(5)	0.0	0.0	3.50

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	3.50000	0.00000	0.00000
2	0.25000	0.00000	0.00000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
3	0.00000	0.75000	0.00000	m_x,m_y,m_z	3.50000	0.00000	0.00000
4	0.75000	0.00000	0.00000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
(1/4,3/4,1/4) + set click here to show and hide
5	0.25000	0.00000	0.25000	m_x,m_y,m_z	3.50000	0.00000	0.00000
6	0.50000	0.75000	0.25000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
7	0.25000	0.50000	0.25000	m_x,m_y,m_z	3.50000	0.00000	0.00000
8	0.00000	0.75000	0.25000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.75000	0.50000	m_x,m_y,m_z	3.50000	0.00000	0.00000
10	0.75000	0.50000	0.50000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
11	0.50000	0.25000	0.50000	m_x,m_y,m_z	3.50000	0.00000	0.00000
12	0.25000	0.50000	0.50000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
(3/4,1/4,3/4) + set click here to show and hide
13	0.75000	0.50000	0.75000	m_x,m_y,m_z	3.50000	0.00000	0.00000
14	0.00000	0.25000	0.75000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
15	0.75000	0.00000	0.75000	m_x,m_y,m_z	3.50000	0.00000	0.00000
16	0.50000	0.25000	0.75000	m_y,m_x,-m_z	0.00000	3.50000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.25000	0.50000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
18	0.25000	0.00000	0.50000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
19	0.00000	0.75000	0.50000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
20	0.75000	0.00000	0.50000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
(1/4,3/4,3/4)' + set click here to show and hide
21	0.25000	0.00000	0.75000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
22	0.50000	0.75000	0.75000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
23	0.25000	0.50000	0.75000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
24	0.00000	0.75000	0.75000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
(1/2,1/2,0)' + set click here to show and hide
25	0.50000	0.75000	0.00000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
26	0.75000	0.50000	0.00000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
27	0.50000	0.25000	0.00000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
28	0.25000	0.50000	0.00000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
(3/4,1/4,1/4)' + set click here to show and hide
29	0.75000	0.50000	0.25000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
30	0.00000	0.25000	0.25000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000
31	0.75000	0.00000	0.25000	-m_x,-m_y,-m_z	-3.50000	0.00000	0.00000
32	0.50000	0.25000	0.25000	-m_y,-m_x,m_z	0.00000	-3.50000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mN2+	4	1	special-2	primary	2
mN1+	4	1	special-2	secondary	1	no

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

La₂O₂Fe₂OSe₂ (#2.49)

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

La2O2Fe2OSe2 (#2.49)

La₂O₂Fe₂OSe₂ (#2.49)