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+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
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5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
8	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
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9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
11	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
12	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
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13	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
14	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
15	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	1.82	-0.9	2.03
Ni1_2	Ni	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	-1.82	0.9	2.03
Ni2_1	Ni	0.13702	0.25000	0.49561	8	m_x,0,m_z	-0.73	1.95	2.08
Ni2_2	Ni	0.11298	0.75000	0.74561	8	m_x,0,m_z	0.73	-1.95	2.08

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Si1_1	Si	0.04714	0.25000	0.21355	8
Si1_2	Si	0.20286	0.75000	0.46355	8
O1_1	O	0.04664	0.25000	0.38470	8
O1_2	O	0.20336	0.75000	0.63470	8
O2_1	O	0.22257	0.25000	0.10858	8
O2_2	O	0.02743	0.75000	0.35858	8
O3_1	O	0.08156	0.03010	0.13719	16
O3_2	O	0.16845	0.96990	0.38719	16

[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	m_x,m_y,m_z	1.82000	0.00000	-0.90000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-1.82000	0.00000	0.90000
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3	0.50000	0.00000	0.50000	m_x,m_y,m_z	1.82000	0.00000	-0.90000
4	0.50000	0.50000	0.00000	-m_x,m_y,-m_z	-1.82000	0.00000	0.90000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-1.82000	0.00000	0.90000
6	0.00000	0.50000	0.00000	m_x,-m_y,m_z	1.82000	0.00000	-0.90000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.82000	0.00000	0.90000
8	0.50000	0.50000	0.50000	m_x,-m_y,m_z	1.82000	0.00000	-0.90000

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	0.25000	0.00000	0.25000	m_x,m_y,m_z	-1.82000	0.00000	0.90000
2	0.75000	0.50000	0.25000	-m_x,m_y,-m_z	1.82000	0.00000	-0.90000
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3	0.75000	0.00000	0.75000	m_x,m_y,m_z	-1.82000	0.00000	0.90000
4	0.25000	0.50000	0.75000	-m_x,m_y,-m_z	1.82000	0.00000	-0.90000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.75000	-m_x,-m_y,-m_z	1.82000	0.00000	-0.90000
6	0.75000	0.50000	0.75000	m_x,-m_y,m_z	-1.82000	0.00000	0.90000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.25000	-m_x,-m_y,-m_z	1.82000	0.00000	-0.90000
8	0.25000	0.50000	0.25000	m_x,-m_y,m_z	-1.82000	0.00000	0.90000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.13702	0.25000	0.49561	m_x,0,m_z	-0.73000	0.00000	1.95000
2	0.86298	0.75000	0.00439	-m_x,0,-m_z	0.73000	0.00000	-1.95000
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3	0.63702	0.25000	0.99561	m_x,0,m_z	-0.73000	0.00000	1.95000
4	0.36298	0.75000	0.50439	-m_x,0,-m_z	0.73000	0.00000	-1.95000
(0,0,1/2)' + set click here to show and hide
5	0.13702	0.25000	0.99561	-m_x,0,-m_z	0.73000	0.00000	-1.95000
6	0.86298	0.75000	0.50439	m_x,0,m_z	-0.73000	0.00000	1.95000
(1/2,0,0)' + set click here to show and hide
7	0.63702	0.25000	0.49561	-m_x,0,-m_z	0.73000	0.00000	-1.95000
8	0.36298	0.75000	0.00439	m_x,0,m_z	-0.73000	0.00000	1.95000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11298	0.75000	0.74561	m_x,0,m_z	0.73000	0.00000	-1.95000
2	0.88702	0.25000	0.75439	-m_x,0,-m_z	-0.73000	0.00000	1.95000
(1/2,0,1/2) + set click here to show and hide
3	0.61298	0.75000	0.24561	m_x,0,m_z	0.73000	0.00000	-1.95000
4	0.38702	0.25000	0.25439	-m_x,0,-m_z	-0.73000	0.00000	1.95000
(0,0,1/2)' + set click here to show and hide
5	0.11298	0.75000	0.24561	-m_x,0,-m_z	-0.73000	0.00000	1.95000
6	0.88702	0.25000	0.25439	m_x,0,m_z	0.73000	0.00000	-1.95000
(1/2,0,0)' + set click here to show and hide
7	0.61298	0.75000	0.74561	-m_x,0,-m_z	-0.73000	0.00000	1.95000
8	0.38702	0.25000	0.75439	m_x,0,m_z	0.73000	0.00000	-1.95000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Si1_1:

Atom	x	y	z
1	0.04714	0.25000	0.21355
2	0.95286	0.75000	0.28645
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3	0.54714	0.25000	0.71355
4	0.45286	0.75000	0.78645
(0,0,1/2)' + set click here to show and hide
5	0.04714	0.25000	0.71355
6	0.95286	0.75000	0.78645
(1/2,0,0)' + set click here to show and hide
7	0.54714	0.25000	0.21355
8	0.45286	0.75000	0.28645

Set of atoms in the unit cell related by symmetry with the atom Si1_2:

Atom	x	y	z
1	0.20286	0.75000	0.46355
2	0.79714	0.25000	0.03645
(1/2,0,1/2) + set click here to show and hide
3	0.70286	0.75000	0.96355
4	0.29714	0.25000	0.53645
(0,0,1/2)' + set click here to show and hide
5	0.20286	0.75000	0.96355
6	0.79714	0.25000	0.53645
(1/2,0,0)' + set click here to show and hide
7	0.70286	0.75000	0.46355
8	0.29714	0.25000	0.03645

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

Atom	x	y	z
1	0.04664	0.25000	0.38470
2	0.95336	0.75000	0.11530
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3	0.54664	0.25000	0.88470
4	0.45336	0.75000	0.61530
(0,0,1/2)' + set click here to show and hide
5	0.04664	0.25000	0.88470
6	0.95336	0.75000	0.61530
(1/2,0,0)' + set click here to show and hide
7	0.54664	0.25000	0.38470
8	0.45336	0.75000	0.11530

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

Atom	x	y	z
1	0.20336	0.75000	0.63470
2	0.79664	0.25000	0.86530
(1/2,0,1/2) + set click here to show and hide
3	0.70336	0.75000	0.13470
4	0.29664	0.25000	0.36530
(0,0,1/2)' + set click here to show and hide
5	0.20336	0.75000	0.13470
6	0.79664	0.25000	0.36530
(1/2,0,0)' + set click here to show and hide
7	0.70336	0.75000	0.63470
8	0.29664	0.25000	0.86530

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

Atom	x	y	z
1	0.22257	0.25000	0.10858
2	0.77743	0.75000	0.39142
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3	0.72257	0.25000	0.60858
4	0.27743	0.75000	0.89142
(0,0,1/2)' + set click here to show and hide
5	0.22257	0.25000	0.60858
6	0.77743	0.75000	0.89142
(1/2,0,0)' + set click here to show and hide
7	0.72257	0.25000	0.10858
8	0.27743	0.75000	0.39142

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

Atom	x	y	z
1	0.02743	0.75000	0.35858
2	0.97257	0.25000	0.14142
(1/2,0,1/2) + set click here to show and hide
3	0.52743	0.75000	0.85858
4	0.47257	0.25000	0.64142
(0,0,1/2)' + set click here to show and hide
5	0.02743	0.75000	0.85858
6	0.97257	0.25000	0.64142
(1/2,0,0)' + set click here to show and hide
7	0.52743	0.75000	0.35858
8	0.47257	0.25000	0.14142

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.08156	0.03010	0.13719
2	0.91844	0.53010	0.36281
3	0.91844	0.96990	0.86281
4	0.08156	0.46990	0.63719
(1/2,0,1/2) + set click here to show and hide
5	0.58156	0.03010	0.63719
6	0.41844	0.53010	0.86281
7	0.41844	0.96990	0.36281
8	0.58156	0.46990	0.13719
(0,0,1/2)' + set click here to show and hide
9	0.08156	0.03010	0.63719
10	0.91844	0.53010	0.86281
11	0.91844	0.96990	0.36281
12	0.08156	0.46990	0.13719
(1/2,0,0)' + set click here to show and hide
13	0.58156	0.03010	0.13719
14	0.41844	0.53010	0.36281
15	0.41844	0.96990	0.86281
16	0.58156	0.46990	0.63719

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.16845	0.96990	0.38719
2	0.83155	0.46990	0.11281
3	0.83155	0.03010	0.61281
4	0.16845	0.53010	0.88719
(1/2,0,1/2) + set click here to show and hide
5	0.66845	0.96990	0.88719
6	0.33155	0.46990	0.61281
7	0.33155	0.03010	0.11281
8	0.66845	0.53010	0.38719
(0,0,1/2)' + set click here to show and hide
9	0.16845	0.96990	0.88719
10	0.83155	0.46990	0.61281
11	0.83155	0.03010	0.11281
12	0.16845	0.53010	0.38719
(1/2,0,0)' + set click here to show and hide
13	0.66845	0.96990	0.38719
14	0.33155	0.46990	0.11281
15	0.33155	0.03010	0.61281
16	0.66845	0.53010	0.88719

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	1.82	-0.9	2.03
Ni1_2	Ni	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	-1.82	0.9	2.03
Ni2_1	Ni	0.13702	0.25000	0.49561	8	m_x,0,m_z	-0.73	1.95	2.08
Ni2_2	Ni	0.11298	0.75000	0.74561	8	m_x,0,m_z	0.73	-1.95	2.08

[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: