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	{ 2₁₁₀ \| 1/4 1/4 0 }
3	-x+1/4,-y+1/4,z,+1	{ 2₀₀₁ \| 1/4 1/4 0 }
4	-y+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
5	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
6	-y+3/4,-x+1/4,z,+1	{ m₁₁₀ \| 3/4 1/4 0 }
7	x+1/4,y+3/4,-z,+1	{ m₀₀₁ \| 1/4 3/4 0 }
8	y,x+1/2,z,+1	{ m_1-10 \| 0 1/2 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	y+3/4,x+3/4,-z,+1	{ 2₁₁₀ \| 3/4 3/4 0 }
11	-x+3/4,-y+3/4,z,+1	{ 2₀₀₁ \| 3/4 3/4 0 }
12	-y,-x,-z,+1	{ 2_1-10 \| 0 }
13	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
14	-y+1/4,-x+3/4,z,+1	{ m₁₁₀ \| 1/4 3/4 0 }
15	x+3/4,y+1/4,-z,+1	{ m₀₀₁ \| 3/4 1/4 0 }
16	y+1/2,x,z,+1	{ m_1-10 \| 1/2 0 0 }
(1/2,0,0)' + set click here to show and hide
17	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
18	y+3/4,x+1/4,-z,-1	{ 2'₁₁₀ \| 3/4 1/4 0 }
19	-x+3/4,-y+1/4,z,-1	{ 2'₀₀₁ \| 3/4 1/4 0 }
20	-y,-x+1/2,-z,-1	{ 2'_1-10 \| 0 1/2 0 }
21	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
22	-y+1/4,-x+1/4,z,-1	{ m'₁₁₀ \| 1/4 1/4 0 }
23	x+3/4,y+3/4,-z,-1	{ m'₀₀₁ \| 3/4 3/4 0 }
24	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
(0,1/2,0)' + set click here to show and hide
25	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
26	y+1/4,x+3/4,-z,-1	{ 2'₁₁₀ \| 1/4 3/4 0 }
27	-x+1/4,-y+3/4,z,-1	{ 2'₀₀₁ \| 1/4 3/4 0 }
28	-y+1/2,-x,-z,-1	{ 2'_1-10 \| 1/2 0 0 }
29	-x,-y,-z,-1	{ -1' \| 0 }
30	-y+3/4,-x+3/4,z,-1	{ m'₁₁₀ \| 3/4 3/4 0 }
31	x+1/4,y+1/4,-z,-1	{ m'₀₀₁ \| 1/4 1/4 0 }
32	y,x,z,-1	{ m'_1-10 \| 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	2₁₁₀
3	-x,-y,z,+1	2₀₀₁
4	-y,-x,-z,+1	2_1-10
5	-x,-y,-z,+1	-1
6	-y,-x,z,+1	m₁₁₀
7	x,y,-z,+1	m₀₀₁
8	y,x,z,+1	m_1-10
1' + set click here to show and hide
9	x,y,z,-1	1'
10	y,x,-z,-1	2'₁₁₀
11	-x,-y,z,-1	2'₀₀₁
12	-y,-x,-z,-1	2'_1-10
13	-x,-y,-z,-1	-1'
14	-y,-x,z,-1	m'₁₁₀
15	x,y,-z,-1	m'₀₀₁
16	y,x,z,-1	m'_1-10

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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	0.12500	0.12500	0.93339	8	0,0,m_z	0.0	0.0	2.70(5)	2.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.12500	0.12500	0.43049	8
Mg1_1	Mg	0.00000	0.00000	0.00000	8
Mg1_2	Mg	0.25000	0.00000	0.00000	8
Mg2	Mg	0.12500	0.45091	0.84951	32
Mg3	Mg	0.37500	0.12500	0.50000	8
Mg4_1	Mg	0.45510	0.45510	0.39055	16
Mg4_2	Mg	0.79490	0.45510	0.39055	16
Mg5	Mg	0.12500	0.24013	0.26703	32

[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	0.12500	0.12500	0.93339	0,0,m_z	0.00000	0.00000	2.70000
2	0.37500	0.37500	0.06661	0,0,-m_z	0.00000	0.00000	-2.70000
(1/2,1/2,0) + set click here to show and hide
3	0.62500	0.62500	0.93339	0,0,m_z	0.00000	0.00000	2.70000
4	0.87500	0.87500	0.06661	0,0,-m_z	0.00000	0.00000	-2.70000
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.12500	0.93339	0,0,-m_z	0.00000	0.00000	-2.70000
6	0.87500	0.37500	0.06661	0,0,m_z	0.00000	0.00000	2.70000
(0,1/2,0)' + set click here to show and hide
7	0.12500	0.62500	0.93339	0,0,-m_z	0.00000	0.00000	-2.70000
8	0.37500	0.87500	0.06661	0,0,m_z	0.00000	0.00000	2.70000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1:

Atom	x	y	z
1	0.12500	0.12500	0.43049
2	0.37500	0.37500	0.56951
(1/2,1/2,0) + set click here to show and hide
3	0.62500	0.62500	0.43049
4	0.87500	0.87500	0.56951
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.12500	0.43049
6	0.87500	0.37500	0.56951
(0,1/2,0)' + set click here to show and hide
7	0.12500	0.62500	0.43049
8	0.37500	0.87500	0.56951

Set of atoms in the unit cell related by symmetry with the atom Mg1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Mg1_2:

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

Set of atoms in the unit cell related by symmetry with the atom Mg2:

Atom	x	y	z
1	0.12500	0.45091	0.84951
2	0.70091	0.37500	0.15049
3	0.12500	0.79909	0.84951
4	0.04909	0.37500	0.15049
5	0.87500	0.04909	0.15049
6	0.29909	0.12500	0.84951
7	0.37500	0.20091	0.15049
8	0.45091	0.62500	0.84951
(1/2,1/2,0) + set click here to show and hide
9	0.62500	0.95091	0.84951
10	0.20091	0.87500	0.15049
11	0.62500	0.29909	0.84951
12	0.54909	0.87500	0.15049
13	0.37500	0.54909	0.15049
14	0.79909	0.62500	0.84951
15	0.87500	0.70091	0.15049
16	0.95091	0.12500	0.84951
(1/2,0,0)' + set click here to show and hide
17	0.62500	0.45091	0.84951
18	0.20091	0.37500	0.15049
19	0.62500	0.79909	0.84951
20	0.54909	0.37500	0.15049
21	0.37500	0.04909	0.15049
22	0.79909	0.12500	0.84951
23	0.87500	0.20091	0.15049
24	0.95091	0.62500	0.84951
(0,1/2,0)' + set click here to show and hide
25	0.12500	0.95091	0.84951
26	0.70091	0.87500	0.15049
27	0.12500	0.29909	0.84951
28	0.04909	0.87500	0.15049
29	0.87500	0.54909	0.15049
30	0.29909	0.62500	0.84951
31	0.37500	0.70091	0.15049
32	0.45091	0.12500	0.84951

Set of atoms in the unit cell related by symmetry with the atom Mg3:

Atom	x	y	z
1	0.37500	0.12500	0.50000
2	0.62500	0.37500	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.87500	0.62500	0.50000
4	0.12500	0.87500	0.50000
(1/2,0,0)' + set click here to show and hide
5	0.87500	0.12500	0.50000
6	0.12500	0.37500	0.50000
(0,1/2,0)' + set click here to show and hide
7	0.37500	0.62500	0.50000
8	0.62500	0.87500	0.50000

Set of atoms in the unit cell related by symmetry with the atom Mg4_1:

Atom	x	y	z
1	0.45510	0.45510	0.39055
2	0.70510	0.70510	0.60945
3	0.79490	0.79490	0.39055
4	0.04490	0.04490	0.60945
(1/2,1/2,0) + set click here to show and hide
5	0.95510	0.95510	0.39055
6	0.20510	0.20510	0.60945
7	0.29490	0.29490	0.39055
8	0.54490	0.54490	0.60945
(1/2,0,0)' + set click here to show and hide
9	0.95510	0.45510	0.39055
10	0.20510	0.70510	0.60945
11	0.29490	0.79490	0.39055
12	0.54490	0.04490	0.60945
(0,1/2,0)' + set click here to show and hide
13	0.45510	0.95510	0.39055
14	0.70510	0.20510	0.60945
15	0.79490	0.29490	0.39055
16	0.04490	0.54490	0.60945

Set of atoms in the unit cell related by symmetry with the atom Mg4_2:

Atom	x	y	z
1	0.79490	0.45510	0.39055
2	0.70510	0.04490	0.60945
3	0.45510	0.79490	0.39055
4	0.04490	0.70510	0.60945
(1/2,1/2,0) + set click here to show and hide
5	0.29490	0.95510	0.39055
6	0.20510	0.54490	0.60945
7	0.95510	0.29490	0.39055
8	0.54490	0.20510	0.60945
(1/2,0,0)' + set click here to show and hide
9	0.29490	0.45510	0.39055
10	0.20510	0.04490	0.60945
11	0.95510	0.79490	0.39055
12	0.54490	0.70510	0.60945
(0,1/2,0)' + set click here to show and hide
13	0.79490	0.95510	0.39055
14	0.70510	0.54490	0.60945
15	0.45510	0.29490	0.39055
16	0.04490	0.20510	0.60945

Set of atoms in the unit cell related by symmetry with the atom Mg5:

Atom	x	y	z
1	0.12500	0.24013	0.26703
2	0.49013	0.37500	0.73297
3	0.12500	0.00987	0.26703
4	0.25987	0.37500	0.73297
5	0.87500	0.25987	0.73297
6	0.50987	0.12500	0.26703
7	0.37500	0.99013	0.73297
8	0.24013	0.62500	0.26703
(1/2,1/2,0) + set click here to show and hide
9	0.62500	0.74013	0.26703
10	0.99013	0.87500	0.73297
11	0.62500	0.50987	0.26703
12	0.75987	0.87500	0.73297
13	0.37500	0.75987	0.73297
14	0.00987	0.62500	0.26703
15	0.87500	0.49013	0.73297
16	0.74013	0.12500	0.26703
(1/2,0,0)' + set click here to show and hide
17	0.62500	0.24013	0.26703
18	0.99013	0.37500	0.73297
19	0.62500	0.00987	0.26703
20	0.75987	0.37500	0.73297
21	0.37500	0.25987	0.73297
22	0.00987	0.12500	0.26703
23	0.87500	0.99013	0.73297
24	0.74013	0.62500	0.26703
(0,1/2,0)' + set click here to show and hide
25	0.12500	0.74013	0.26703
26	0.49013	0.87500	0.73297
27	0.12500	0.50987	0.26703
28	0.25987	0.87500	0.73297
29	0.87500	0.75987	0.73297
30	0.50987	0.62500	0.26703
31	0.37500	0.49013	0.73297
32	0.24013	0.12500	0.26703

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.12500	0.12500	0.93339	8	0,0,m_z	0.0	0.0	2.70(5)	2.70

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mM4	2	2	special	primary	1

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

NdNiMg₁₅ (#1.457)

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

NdNiMg15 (#1.457)

NdNiMg₁₅ (#1.457)