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+3/4,x+1/4,-z+1/2,+1	{ 2₁₁₀ \| 3/4 1/4 1/2 }
5	-y+3/4,-x+3/4,-z+1/2,+1	{ 2_1-10 \| 3/4 3/4 1/2 }
6	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
7	-x+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
8	x,-y,-z,+1	{ 2₁₀₀ \| 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+1/4,-x+3/4,z+1/2,+1	{ m₁₁₀ \| 1/4 3/4 1/2 }
13	y+1/4,x+1/4,z+1/2,+1	{ m_1-10 \| 1/4 1/4 1/2 }
14	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
15	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
16	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 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+1/4,x+3/4,-z+1/2,+1	{ 2₁₁₀ \| 1/4 3/4 1/2 }
21	-y+1/4,-x+1/4,-z+1/2,+1	{ 2_1-10 \| 1/4 1/4 1/2 }
22	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
23	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
24	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 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+3/4,-x+1/4,z+1/2,+1	{ m₁₁₀ \| 3/4 1/4 1/2 }
29	y+3/4,x+3/4,z+1/2,+1	{ m_1-10 \| 3/4 3/4 1/2 }
30	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
31	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
32	-x,y,z,+1	{ m₁₀₀ \| 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+3/4,x+3/4,-z+1/2,-1	{ 2'₁₁₀ \| 3/4 3/4 1/2 }
37	-y+3/4,-x+1/4,-z+1/2,-1	{ 2'_1-10 \| 3/4 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+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
40	x,-y+1/2,-z,-1	{ 2'₁₀₀ \| 0 1/2 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+1/4,-x+1/4,z+1/2,-1	{ m'₁₁₀ \| 1/4 1/4 1/2 }
45	y+1/4,x+3/4,z+1/2,-1	{ m'_1-10 \| 1/4 3/4 1/2 }
46	x,y,-z,-1	{ m'₀₀₁ \| 0 }
47	x,-y,z,-1	{ m'₀₁₀ \| 0 }
48	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 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+1/4,x+1/4,-z+1/2,-1	{ 2'₁₁₀ \| 1/4 1/4 1/2 }
53	-y+1/4,-x+3/4,-z+1/2,-1	{ 2'_1-10 \| 1/4 3/4 1/2 }
54	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
55	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
56	x+1/2,-y,-z,-1	{ 2'₁₀₀ \| 1/2 0 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+3/4,-x+3/4,z+1/2,-1	{ m'₁₁₀ \| 3/4 3/4 1/2 }
61	y+3/4,x+1/4,z+1/2,-1	{ m'_1-10 \| 3/4 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+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
64	-x,y+1/2,z,-1	{ m'₁₀₀ \| 0 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	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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.00000	0.00000	0.35160	16	m_x,0,0	0.0	0.0	0.0	0.00
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,0,0	0.4	0.0	0.0	0.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.00000	0.25000	0.00000	8
O1_2	O	0.25000	0.00000	0.00000	8
O2_1	O	0.00000	0.25000	0.25000	8
O2_2	O	0.25000	0.00000	0.25000	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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.35160	m_x,0,0	0.00000	0.00000	0.00000
2	0.75000	0.25000	0.85160	0,m_x,0	0.00000	0.00000	0.00000
3	0.75000	0.25000	0.14840	0,m_x,0	0.00000	0.00000	0.00000
4	0.50000	0.00000	0.64840	-m_x,0,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.35160	m_x,0,0	0.00000	0.00000	0.00000
6	0.25000	0.75000	0.85160	0,m_x,0	0.00000	0.00000	0.00000
7	0.25000	0.75000	0.14840	0,m_x,0	0.00000	0.00000	0.00000
8	0.00000	0.50000	0.64840	-m_x,0,0	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.35160	-m_x,0,0	0.00000	0.00000	0.00000
10	0.75000	0.75000	0.85160	0,-m_x,0	0.00000	0.00000	0.00000
11	0.75000	0.75000	0.14840	0,-m_x,0	0.00000	0.00000	0.00000
12	0.50000	0.50000	0.64840	m_x,0,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.35160	-m_x,0,0	0.00000	0.00000	0.00000
14	0.25000	0.25000	0.85160	0,-m_x,0	0.00000	0.00000	0.00000
15	0.25000	0.25000	0.14840	0,-m_x,0	0.00000	0.00000	0.00000
16	0.00000	0.00000	0.64840	m_x,0,0	0.00000	0.00000	0.00000

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	m_x,0,0	0.40000	0.00000	0.00000
2	0.75000	0.25000	0.50000	0,m_x,0	0.00000	0.40000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	m_x,0,0	0.40000	0.00000	0.00000
4	0.25000	0.75000	0.50000	0,m_x,0	0.00000	0.40000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000	-m_x,0,0	-0.40000	0.00000	0.00000
6	0.75000	0.75000	0.50000	0,-m_x,0	0.00000	-0.40000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	-m_x,0,0	-0.40000	0.00000	0.00000
8	0.25000	0.25000	0.50000	0,-m_x,0	0.00000	-0.40000	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	0.00000
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_1:

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

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

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.00000	0.00000	0.35160	16	m_x,0,0	0.0	0.0	0.0	0.00
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,0,0	0.4	0.0	0.0	0.40

[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	2

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

Nd₂CuO₄ (#2.78)

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

Nd2CuO4 (#2.78)

Nd₂CuO₄ (#2.78)