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+1/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 1/4 1/2 1/4 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 1/4 1/2 1/4 }
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5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+3/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 3/4 1/2 3/4 }
7	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
8	x+3/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 3/4 1/2 3/4 }
(1/2,0,0)' + set click here to show and hide
9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
11	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
12	x+3/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 3/4 1/2 1/4 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	-x+1/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/4 1/2 3/4 }
15	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
16	x+1/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 1/4 1/2 3/4 }

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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_y	M_z	\|M\|
Mn1	Mn	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	1.17	0.0	1.19	1.66
Ni1	Ni	0.25000	0.00000	0.00000	8	0,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sc1	Sc	0.48650	0.07700	0.12700	16
O1	O	0.18300	0.93800	0.12900	16
O2	O	0.09600	0.18400	0.28150	16
O3	O	0.33700	0.30000	0.21300	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 Mn1:

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	1.17000	0.00000	1.19000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-1.17000	0.00000	-1.19000
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3	0.75000	0.00000	0.75000	m_x,m_y,m_z	1.17000	0.00000	1.19000
4	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-1.17000	0.00000	-1.19000
(1/2,0,0)' + set click here to show and hide
5	0.75000	0.00000	0.25000	-m_x,-m_y,-m_z	-1.17000	0.00000	-1.19000
6	0.50000	0.50000	0.00000	m_x,-m_y,m_z	1.17000	0.00000	1.19000
(0,0,1/2)' + set click here to show and hide
7	0.25000	0.00000	0.75000	-m_x,-m_y,-m_z	-1.17000	0.00000	-1.19000
8	0.00000	0.50000	0.50000	m_x,-m_y,m_z	1.17000	0.00000	1.19000

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

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sc1:

Atom	x	y	z
1	0.48650	0.07700	0.12700
2	0.76350	0.57700	0.12300
3	0.51350	0.92300	0.87300
4	0.73650	0.42300	0.37700
(1/2,0,1/2) + set click here to show and hide
5	0.98650	0.07700	0.62700
6	0.26350	0.57700	0.62300
7	0.01350	0.92300	0.37300
8	0.23650	0.42300	0.87700
(1/2,0,0)' + set click here to show and hide
9	0.98650	0.07700	0.12700
10	0.26350	0.57700	0.12300
11	0.01350	0.92300	0.87300
12	0.23650	0.42300	0.37700
(0,0,1/2)' + set click here to show and hide
13	0.48650	0.07700	0.62700
14	0.76350	0.57700	0.62300
15	0.51350	0.92300	0.37300
16	0.73650	0.42300	0.87700

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.18300	0.93800	0.12900
2	0.06700	0.43800	0.12100
3	0.81700	0.06200	0.87100
4	0.43300	0.56200	0.37900
(1/2,0,1/2) + set click here to show and hide
5	0.68300	0.93800	0.62900
6	0.56700	0.43800	0.62100
7	0.31700	0.06200	0.37100
8	0.93300	0.56200	0.87900
(1/2,0,0)' + set click here to show and hide
9	0.68300	0.93800	0.12900
10	0.56700	0.43800	0.12100
11	0.31700	0.06200	0.87100
12	0.93300	0.56200	0.37900
(0,0,1/2)' + set click here to show and hide
13	0.18300	0.93800	0.62900
14	0.06700	0.43800	0.62100
15	0.81700	0.06200	0.37100
16	0.43300	0.56200	0.87900

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.09600	0.18400	0.28150
2	0.15400	0.68400	0.96850
3	0.90400	0.81600	0.71850
4	0.34600	0.31600	0.53150
(1/2,0,1/2) + set click here to show and hide
5	0.59600	0.18400	0.78150
6	0.65400	0.68400	0.46850
7	0.40400	0.81600	0.21850
8	0.84600	0.31600	0.03150
(1/2,0,0)' + set click here to show and hide
9	0.59600	0.18400	0.28150
10	0.65400	0.68400	0.96850
11	0.40400	0.81600	0.71850
12	0.84600	0.31600	0.53150
(0,0,1/2)' + set click here to show and hide
13	0.09600	0.18400	0.78150
14	0.15400	0.68400	0.46850
15	0.90400	0.81600	0.21850
16	0.34600	0.31600	0.03150

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.33700	0.30000	0.21300
2	0.91300	0.80000	0.03700
3	0.66300	0.70000	0.78700
4	0.58700	0.20000	0.46300
(1/2,0,1/2) + set click here to show and hide
5	0.83700	0.30000	0.71300
6	0.41300	0.80000	0.53700
7	0.16300	0.70000	0.28700
8	0.08700	0.20000	0.96300
(1/2,0,0)' + set click here to show and hide
9	0.83700	0.30000	0.21300
10	0.41300	0.80000	0.03700
11	0.16300	0.70000	0.78700
12	0.08700	0.20000	0.46300
(0,0,1/2)' + set click here to show and hide
13	0.33700	0.30000	0.71300
14	0.91300	0.80000	0.53700
15	0.66300	0.70000	0.28700
16	0.58700	0.20000	0.96300

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	1.17	0.0	1.19	1.66
Ni1	Ni	0.25000	0.00000	0.00000	8	0,0,0	0.0	0.0	0.0	0.00

label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	3

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