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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.0	0.0	0.0	8	0,m_y,0	0.0	1.	0.0	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nd1	Nd	0.75000	0.25000	0.85150	16
O1_1	O	0.75000	0.50000	0.50000	8
O1_2	O	0.50000	0.25000	0.50000	8
O2_1	O	0.75000	0.50000	0.75000	8
O2_2	O	0.50000	0.25000	0.75000	8

[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 Cu1:

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	1.00000	0.00000
2	0.25000	0.25000	0.50000	-m_y,0,0	-1.00000	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	1.00000	0.00000
4	0.75000	0.75000	0.50000	-m_y,0,0	-1.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	0,-m_y,0	0.00000	-1.00000	0.00000
6	0.75000	0.25000	0.50000	m_y,0,0	1.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.00000	0,-m_y,0	0.00000	-1.00000	0.00000
8	0.25000	0.75000	0.50000	m_y,0,0	1.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Nd1:

Atom	x	y	z
1	0.75000	0.25000	0.85150
2	0.00000	0.50000	0.64850
3	0.25000	0.25000	0.14850
4	0.00000	0.00000	0.35150
(1/2,1/2,0) + set click here to show and hide
5	0.25000	0.75000	0.85150
6	0.50000	0.00000	0.64850
7	0.75000	0.75000	0.14850
8	0.50000	0.50000	0.35150
(1/2,0,0)' + set click here to show and hide
9	0.25000	0.25000	0.85150
10	0.50000	0.50000	0.64850
11	0.75000	0.25000	0.14850
12	0.50000	0.00000	0.35150
(0,1/2,0)' + set click here to show and hide
13	0.75000	0.75000	0.85150
14	0.00000	0.00000	0.64850
15	0.25000	0.75000	0.14850
16	0.00000	0.50000	0.35150

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

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

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

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

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

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

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

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.0	0.0	0.0	8	0,m_y,0	0.0	1.	0.0	1.00

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX4+	2	1	special-2	primary	1

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

Nd₂CuO₄ (#2.6)

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

Nd2CuO4 (#2.6)

Nd₂CuO₄ (#2.6)