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,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x,-y,-z,+1	{ -1 \| 0 }
5	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
6	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
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7	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
8	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
9	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
10	-x+2/3,-y+1/3,-z+1/3,+1	{ -1 \| 2/3 1/3 1/3 }
11	y+2/3,-x+y+1/3,-z+1/3,+1	{ -3⁺₀₀₁ \| 2/3 1/3 1/3 }
12	x-y+2/3,x+1/3,-z+1/3,+1	{ -3^-₀₀₁ \| 2/3 1/3 1/3 }
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13	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
14	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
15	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
16	-x+1/3,-y+2/3,-z+2/3,+1	{ -1 \| 1/3 2/3 2/3 }
17	y+1/3,-x+y+2/3,-z+2/3,+1	{ -3⁺₀₀₁ \| 1/3 2/3 2/3 }
18	x-y+1/3,x+2/3,-z+2/3,+1	{ -3^-₀₀₁ \| 1/3 2/3 2/3 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x,-y,-z,+1	-1
5	y,-x+y,-z,+1	-3⁺₀₀₁
6	x-y,x,-z,+1	-3^-₀₀₁

Magnetic atoms:

Label	Atom type	x	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Ni1_1	Ni	0	0	3	0,0,m_z	0.0	1.195(11)	1.20
Ni1_2	Ni	0	0.5	3	0,0,m_z	0.0	-1.195(11)	1.20
Ni1_3	Ni	0.5	0.5	9	m_x,m_y,m_z	1.180(5)	0.254(18)	1.21
Ni1_4	Ni	0.5	0	9	m_x,m_y,m_z	1.180(5)	-0.254(18)	1.21

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1_1	S	0	0	0.8032	6
S1_2	S	0	0	0.3032	6
S1_3	S	0.5709	-0.0709	0.2323	18
S1_4	S	0.2376	0.2624	0.0656	18

[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 Ni1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.19500
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2	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.19500
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3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.19500

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	-1.19500
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2	0.66667	0.33333	0.83333	0,0,m_z	0.00000	0.00000	-1.19500
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3	0.33333	0.66667	0.16667	0,0,m_z	0.00000	0.00000	-1.19500

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	1.18000	0.00000	0.25400
2	0.00000	0.50000	0.50000	-m_y,m_x-m_y,m_z	0.00000	1.18000	0.25400
3	0.50000	0.50000	0.50000	-m_x+m_y,-m_x,m_z	-1.18000	-1.18000	0.25400
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4	0.16667	0.33333	0.83333	m_x,m_y,m_z	1.18000	0.00000	0.25400
5	0.66667	0.83333	0.83333	-m_y,m_x-m_y,m_z	0.00000	1.18000	0.25400
6	0.16667	0.83333	0.83333	-m_x+m_y,-m_x,m_z	-1.18000	-1.18000	0.25400
(1/3,2/3,2/3) + set click here to show and hide
7	0.83333	0.66667	0.16667	m_x,m_y,m_z	1.18000	0.00000	0.25400
8	0.33333	0.16667	0.16667	-m_y,m_x-m_y,m_z	0.00000	1.18000	0.25400
9	0.83333	0.16667	0.16667	-m_x+m_y,-m_x,m_z	-1.18000	-1.18000	0.25400

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	1.18000	0.00000	-0.25400
2	0.00000	0.50000	0.00000	-m_y,m_x-m_y,m_z	0.00000	1.18000	-0.25400
3	0.50000	0.50000	0.00000	-m_x+m_y,-m_x,m_z	-1.18000	-1.18000	-0.25400
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4	0.16667	0.33333	0.33333	m_x,m_y,m_z	1.18000	0.00000	-0.25400
5	0.66667	0.83333	0.33333	-m_y,m_x-m_y,m_z	0.00000	1.18000	-0.25400
6	0.16667	0.83333	0.33333	-m_x+m_y,-m_x,m_z	-1.18000	-1.18000	-0.25400
(1/3,2/3,2/3) + set click here to show and hide
7	0.83333	0.66667	0.66667	m_x,m_y,m_z	1.18000	0.00000	-0.25400
8	0.33333	0.16667	0.66667	-m_y,m_x-m_y,m_z	0.00000	1.18000	-0.25400
9	0.83333	0.16667	0.66667	-m_x+m_y,-m_x,m_z	-1.18000	-1.18000	-0.25400

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.00000	0.00000	0.80320
2	0.00000	0.00000	0.19680
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3	0.66667	0.33333	0.13653
4	0.66667	0.33333	0.53013
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.46987
6	0.33333	0.66667	0.86347

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.00000	0.00000	0.30320
2	0.00000	0.00000	0.69680
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3	0.66667	0.33333	0.63653
4	0.66667	0.33333	0.03013
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.96987
6	0.33333	0.66667	0.36347

Set of atoms in the unit cell related by symmetry with the atom S1_3:

Atom	x	y	z
1	0.57090	0.92910	0.23230
2	0.07090	0.64180	0.23230
3	0.35820	0.42910	0.23230
4	0.42910	0.07090	0.76770
5	0.92910	0.35820	0.76770
6	0.64180	0.57090	0.76770
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7	0.23757	0.26243	0.56563
8	0.73757	0.97513	0.56563
9	0.02487	0.76243	0.56563
10	0.09577	0.40423	0.10103
11	0.59577	0.69153	0.10103
12	0.30847	0.90423	0.10103
(1/3,2/3,2/3) + set click here to show and hide
13	0.90423	0.59577	0.89897
14	0.40423	0.30847	0.89897
15	0.69153	0.09577	0.89897
16	0.76243	0.73757	0.43437
17	0.26243	0.02487	0.43437
18	0.97513	0.23757	0.43437

Set of atoms in the unit cell related by symmetry with the atom S1_4:

Atom	x	y	z
1	0.23760	0.26240	0.06560
2	0.73760	0.97520	0.06560
3	0.02480	0.76240	0.06560
4	0.76240	0.73760	0.93440
5	0.26240	0.02480	0.93440
6	0.97520	0.23760	0.93440
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7	0.90427	0.59573	0.39893
8	0.40427	0.30853	0.39893
9	0.69147	0.09573	0.39893
10	0.42907	0.07093	0.26773
11	0.92907	0.35813	0.26773
12	0.64187	0.57093	0.26773
(1/3,2/3,2/3) + set click here to show and hide
13	0.57093	0.92907	0.73227
14	0.07093	0.64187	0.73227
15	0.35813	0.42907	0.73227
16	0.09573	0.40427	0.60107
17	0.59573	0.69147	0.60107
18	0.30853	0.90427	0.60107

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Label	Atom type	x	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Ni1_1	Ni	0	0	3	0,0,m_z	0.0	1.195(11)	1.20
Ni1_2	Ni	0	0.5	3	0,0,m_z	0.0	-1.195(11)	1.20
Ni1_3	Ni	0.5	0.5	9	m_x,m_y,m_z	1.180(5)	0.254(18)	1.21
Ni1_4	Ni	0.5	0	9	m_x,m_y,m_z	1.180(5)	-0.254(18)	1.21

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: