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	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
3	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
4	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
5	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
6	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
7	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
8	-y,-x+1/2,z,-1	{ m'₁₁₀ \| 0 1/2 0 }
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9	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
10	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
11	-x,-y,-z,+1	{ -1 \| 0 }
12	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
13	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
14	y+1/2,x,-z,-1	{ 2'₁₁₀ \| 1/2 0 0 }
15	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
16	-y,-x,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
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17	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
18	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
19	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
20	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
21	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
22	y,x+1/2,-z,-1	{ 2'₁₁₀ \| 0 1/2 0 }
23	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
24	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
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25	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
26	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
27	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
28	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
29	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }
30	y,x,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
31	y,x,z,-1	{ m'_1-10 \| 0 }
32	-y+1/2,-x,z,-1	{ m'₁₁₀ \| 1/2 0 0 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Np1	Np	0.00000	0.00000	0.00000	8	m_x,m_x,m_z	0.42	0.42	0.59	0.84
Ni1	Ni	0.00000	0.00000	0.25000	8	0,0,m_z	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ga1	Ga	0.25000	0.25000	0.00000	8
Ga2_1	Ga	0.00000	0.25000	0.15305	16
Ga2_2	Ga	0.00000	0.25000	0.84695	16

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 Np1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_x,m_z	0.42000	0.42000	0.59000
2	0.00000	0.50000	0.00000	-m_x,-m_x,m_z	-0.42000	-0.42000	0.59000
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3	0.00000	0.50000	0.50000	m_x,m_x,m_z	0.42000	0.42000	0.59000
4	0.00000	0.00000	0.50000	-m_x,-m_x,m_z	-0.42000	-0.42000	0.59000
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5	0.50000	0.00000	0.50000	m_x,m_x,m_z	0.42000	0.42000	0.59000
6	0.50000	0.50000	0.50000	-m_x,-m_x,m_z	-0.42000	-0.42000	0.59000
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7	0.50000	0.50000	0.00000	m_x,m_x,m_z	0.42000	0.42000	0.59000
8	0.50000	0.00000	0.00000	-m_x,-m_x,m_z	-0.42000	-0.42000	0.59000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	0.00000
2	0.00000	0.50000	0.25000	0,0,m_z	0.00000	0.00000	0.00000
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3	0.00000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	0.00000
4	0.00000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	0.00000
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5	0.50000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	0.00000
6	0.50000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	0.00000
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7	0.50000	0.50000	0.25000	0,0,m_z	0.00000	0.00000	0.00000
8	0.50000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ga1:

Atom	x	y	z
1	0.25000	0.25000	0.00000
2	0.75000	0.25000	0.00000
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3	0.25000	0.75000	0.50000
4	0.75000	0.75000	0.50000
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5	0.75000	0.25000	0.50000
6	0.25000	0.25000	0.50000
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7	0.75000	0.75000	0.00000
8	0.25000	0.75000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Ga2_1:

Atom	x	y	z
1	0.00000	0.25000	0.15305
2	0.00000	0.25000	0.34695
3	0.75000	0.50000	0.34695
4	0.75000	0.50000	0.15305
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.75000	0.65305
6	0.00000	0.75000	0.84695
7	0.75000	0.00000	0.84695
8	0.75000	0.00000	0.65305
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9	0.50000	0.25000	0.65305
10	0.50000	0.25000	0.84695
11	0.25000	0.50000	0.84695
12	0.25000	0.50000	0.65305
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13	0.50000	0.75000	0.15305
14	0.50000	0.75000	0.34695
15	0.25000	0.00000	0.34695
16	0.25000	0.00000	0.15305

Set of atoms in the unit cell related by symmetry with the atom Ga2_2:

Atom	x	y	z
1	0.00000	0.25000	0.84695
2	0.00000	0.25000	0.65305
3	0.75000	0.50000	0.65305
4	0.75000	0.50000	0.84695
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5	0.00000	0.75000	0.34695
6	0.00000	0.75000	0.15305
7	0.75000	0.00000	0.15305
8	0.75000	0.00000	0.34695
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.25000	0.34695
10	0.50000	0.25000	0.15305
11	0.25000	0.50000	0.15305
12	0.25000	0.50000	0.34695
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.75000	0.84695
14	0.50000	0.75000	0.65305
15	0.25000	0.00000	0.65305
16	0.25000	0.00000	0.84695

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Np1	Np	0.00000	0.00000	0.00000	8	m_x,m_x,m_z	0.42	0.42	0.59	0.84
Ni1	Ni	0.00000	0.00000	0.25000	8	0,0,m_z	0.0	0.0	0.0	0.00

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