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+3/4,x+1/4,z+1/2,+1	{ 4⁺₀₀₁ \| 3/4 1/4 1/2 }
3	y+3/4,-x+3/4,z+1/2,+1	{ 4^-₀₀₁ \| 3/4 3/4 1/2 }
4	y+1/4,x+1/4,-z+1/2,+1	{ 2₁₁₀ \| 1/4 1/4 1/2 }
5	-y+1/4,-x+3/4,-z+1/2,+1	{ 2_1-10 \| 1/4 3/4 1/2 }
6	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
7	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
8	x,-y+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
9	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
10	y+1/4,-x+3/4,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/4 3/4 1/2 }
11	-y+1/4,x+1/4,-z+1/2,+1	{ -4^-₀₀₁ \| 1/4 1/4 1/2 }
12	-y+3/4,-x+3/4,z+1/2,+1	{ m₁₁₀ \| 3/4 3/4 1/2 }
13	y+3/4,x+1/4,z+1/2,+1	{ m_1-10 \| 3/4 1/4 1/2 }
14	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
15	x,-y,z,+1	{ m₀₁₀ \| 0 }
16	-x+1/2,y,z,+1	{ m₁₀₀ \| 1/2 0 0 }
(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+1/4,x+3/4,z+1/2,+1	{ 4⁺₀₀₁ \| 1/4 3/4 1/2 }
19	y+1/4,-x+1/4,z+1/2,+1	{ 4^-₀₀₁ \| 1/4 1/4 1/2 }
20	y+3/4,x+3/4,-z+1/2,+1	{ 2₁₁₀ \| 3/4 3/4 1/2 }
21	-y+3/4,-x+1/4,-z+1/2,+1	{ 2_1-10 \| 3/4 1/4 1/2 }
22	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
23	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
24	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
25	-x,-y,-z,+1	{ -1 \| 0 }
26	y+3/4,-x+1/4,-z+1/2,+1	{ -4⁺₀₀₁ \| 3/4 1/4 1/2 }
27	-y+3/4,x+3/4,-z+1/2,+1	{ -4^-₀₀₁ \| 3/4 3/4 1/2 }
28	-y+1/4,-x+1/4,z+1/2,+1	{ m₁₁₀ \| 1/4 1/4 1/2 }
29	y+1/4,x+3/4,z+1/2,+1	{ m_1-10 \| 1/4 3/4 1/2 }
30	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
31	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
32	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
33	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
34	-y+3/4,x+3/4,z+1/2,-1	{ 4'⁺₀₀₁ \| 3/4 3/4 1/2 }
35	y+3/4,-x+1/4,z+1/2,-1	{ 4'^-₀₀₁ \| 3/4 1/4 1/2 }
36	y+1/4,x+3/4,-z+1/2,-1	{ 2'₁₁₀ \| 1/4 3/4 1/2 }
37	-y+1/4,-x+1/4,-z+1/2,-1	{ 2'_1-10 \| 1/4 1/4 1/2 }
38	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
39	-x+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
40	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
41	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
42	y+1/4,-x+1/4,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/4 1/4 1/2 }
43	-y+1/4,x+3/4,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/4 3/4 1/2 }
44	-y+3/4,-x+1/4,z+1/2,-1	{ m'₁₁₀ \| 3/4 1/4 1/2 }
45	y+3/4,x+3/4,z+1/2,-1	{ m'_1-10 \| 3/4 3/4 1/2 }
46	x,y,-z,-1	{ m'₀₀₁ \| 0 }
47	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
48	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
(1/2,0,0)' + set click here to show and hide
49	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
50	-y+1/4,x+1/4,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/4 1/4 1/2 }
51	y+1/4,-x+3/4,z+1/2,-1	{ 4'^-₀₀₁ \| 1/4 3/4 1/2 }
52	y+3/4,x+1/4,-z+1/2,-1	{ 2'₁₁₀ \| 3/4 1/4 1/2 }
53	-y+3/4,-x+3/4,-z+1/2,-1	{ 2'_1-10 \| 3/4 3/4 1/2 }
54	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
55	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
56	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
57	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
58	y+3/4,-x+3/4,-z+1/2,-1	{ -4'⁺₀₀₁ \| 3/4 3/4 1/2 }
59	-y+3/4,x+1/4,-z+1/2,-1	{ -4'^-₀₀₁ \| 3/4 1/4 1/2 }
60	-y+1/4,-x+3/4,z+1/2,-1	{ m'₁₁₀ \| 1/4 3/4 1/2 }
61	y+1/4,x+1/4,z+1/2,-1	{ m'_1-10 \| 1/4 1/4 1/2 }
62	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
63	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }
64	-x,y,z,-1	{ m'₁₀₀ \| 0 }

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	y,x,-z,+1	2₁₁₀
5	-y,-x,-z,+1	2_1-10
6	-x,-y,z,+1	2₀₀₁
7	-x,y,-z,+1	2₀₁₀
8	x,-y,-z,+1	2₁₀₀
9	-x,-y,-z,+1	-1
10	y,-x,-z,+1	-4⁺₀₀₁
11	-y,x,-z,+1	-4^-₀₀₁
12	-y,-x,z,+1	m₁₁₀
13	y,x,z,+1	m_1-10
14	x,y,-z,+1	m₀₀₁
15	x,-y,z,+1	m₀₁₀
16	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,x,z,-1	4'⁺₀₀₁
19	y,-x,z,-1	4'^-₀₀₁
20	y,x,-z,-1	2'₁₁₀
21	-y,-x,-z,-1	2'_1-10
22	-x,-y,z,-1	2'₀₀₁
23	-x,y,-z,-1	2'₀₁₀
24	x,-y,-z,-1	2'₁₀₀
25	-x,-y,-z,-1	-1'
26	y,-x,-z,-1	-4'⁺₀₀₁
27	-y,x,-z,-1	-4'^-₀₀₁
28	-y,-x,z,-1	m'₁₁₀
29	y,x,z,-1	m'_1-10
30	x,y,-z,-1	m'₀₀₁
31	x,-y,z,-1	m'₀₁₀
32	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.00000	0.00000	1.	8	0,m_y,0	0.0	2.25(2)	0.0	2.25

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1	La	0.00000	0.00000	0.35957	0.5	16
Sr1	Sr	0.00000	0.00000	0.35957	0.5	16
O1_1	O	0.00000	0.25000	0.00000	1.	8
O1_2	O	0.25000	0.00000	0.00000	1.	8
O2	O	0.00000	0.00000	0.16553	1.	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 Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	2.25000	0.00000
2	0.75000	0.25000	0.50000	-m_y,0,0	-2.25000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	0,m_y,0	0.00000	2.25000	0.00000
4	0.25000	0.75000	0.50000	-m_y,0,0	-2.25000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000	0,-m_y,0	0.00000	-2.25000	0.00000
6	0.75000	0.75000	0.50000	m_y,0,0	2.25000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	0,-m_y,0	0.00000	-2.25000	0.00000
8	0.25000	0.25000	0.50000	m_y,0,0	2.25000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1:

Atom	x	y	z
1	0.00000	0.00000	0.35957
2	0.75000	0.25000	0.85957
3	0.25000	0.25000	0.14043
4	0.50000	0.50000	0.64043
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.35957
6	0.25000	0.75000	0.85957
7	0.75000	0.75000	0.14043
8	0.00000	0.00000	0.64043
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.35957
10	0.75000	0.75000	0.85957
11	0.25000	0.75000	0.14043
12	0.50000	0.00000	0.64043
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.35957
14	0.25000	0.25000	0.85957
15	0.75000	0.25000	0.14043
16	0.00000	0.50000	0.64043

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.00000	0.00000	0.35957
2	0.75000	0.25000	0.85957
3	0.25000	0.25000	0.14043
4	0.50000	0.50000	0.64043
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.35957
6	0.25000	0.75000	0.85957
7	0.75000	0.75000	0.14043
8	0.00000	0.00000	0.64043
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.35957
10	0.75000	0.75000	0.85957
11	0.25000	0.75000	0.14043
12	0.50000	0.00000	0.64043
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.35957
14	0.25000	0.25000	0.85957
15	0.75000	0.25000	0.14043
16	0.00000	0.50000	0.64043

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

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

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

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

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.00000	0.00000	0.16553
2	0.75000	0.25000	0.66553
3	0.25000	0.25000	0.33447
4	0.50000	0.50000	0.83447
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.16553
6	0.25000	0.75000	0.66553
7	0.75000	0.75000	0.33447
8	0.00000	0.00000	0.83447
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.16553
10	0.75000	0.75000	0.66553
11	0.25000	0.75000	0.33447
12	0.50000	0.00000	0.83447
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.16553
14	0.25000	0.25000	0.66553
15	0.75000	0.25000	0.33447
16	0.00000	0.50000	0.83447

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.00000	0.00000	8	0,m_y,0	0.0	2.25(2)	0.0	2.25

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX3+	2	1	special-2	primary	1

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

LaSrCrO₄ (#2.89)

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

LaSrCrO4 (#2.89)

LaSrCrO₄ (#2.89)