MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
3	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
4	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
(1/2,1/2,0)' + set click here to show and hide
7	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
8	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	1.17(18)	-0.01(1)	1.19(23)	1.66
Mn1_2	Mn	0.00000	0.25000	0.00000	8	m_x,m_y,m_z	-1.17	-0.01	-1.19	1.66
Ni1_1	Ni	0.25000	0.00000	0.00000	8	m_x,m_y,m_z	-1.03(42)	0.0	-1.09(27)	1.49
Ni1_2	Ni	0.00000	0.25000	0.25000	8	m_x,m_y,m_z	-1.03	0.0	-1.09	1.49

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sc1_1	Sc	0.48650	0.03850	0.12700	8
Sc1_2	Sc	0.76350	0.28850	0.12300	8
Sc1_3	Sc	0.48650	0.53850	0.12700	8
Sc1_4	Sc	0.76350	0.78850	0.12300	8
O1_1	O	0.18300	0.46900	0.12900	8
O1_2	O	0.06700	0.71900	0.12100	8
O1_3	O	0.18300	0.96900	0.12900	8
O1_4	O	0.06700	0.21900	0.12100	8
O2_1	O	0.09600	0.09200	0.28150	8
O2_2	O	0.15400	0.34200	0.96850	8
O2_3	O	0.09600	0.59200	0.28150	8
O2_4	O	0.15400	0.84200	0.96850	8
O3_1	O	0.33700	0.15000	0.21300	8
O3_2	O	0.91300	0.40000	0.03700	8
O3_3	O	0.33700	0.65000	0.21300	8
O3_4	O	0.91300	0.90000	0.03700	8

[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 Mn1_1:

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	-0.01000	1.19000
2	0.75000	0.00000	0.75000	m_x,m_y,m_z	1.17000	-0.01000	1.19000
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3	0.75000	0.50000	0.75000	m_x,m_y,m_z	1.17000	-0.01000	1.19000
4	0.25000	0.50000	0.25000	m_x,m_y,m_z	1.17000	-0.01000	1.19000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.75000	-m_x,-m_y,-m_z	-1.17000	0.01000	-1.19000
6	0.75000	0.00000	0.25000	-m_x,-m_y,-m_z	-1.17000	0.01000	-1.19000
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.50000	0.25000	-m_x,-m_y,-m_z	-1.17000	0.01000	-1.19000
8	0.25000	0.50000	0.75000	-m_x,-m_y,-m_z	-1.17000	0.01000	-1.19000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	-1.17000	-0.01000	-1.19000
2	0.00000	0.75000	0.00000	m_x,m_y,m_z	-1.17000	-0.01000	-1.19000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.50000	m_x,m_y,m_z	-1.17000	-0.01000	-1.19000
4	0.50000	0.25000	0.50000	m_x,m_y,m_z	-1.17000	-0.01000	-1.19000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.25000	0.50000	-m_x,-m_y,-m_z	1.17000	0.01000	1.19000
6	0.00000	0.75000	0.50000	-m_x,-m_y,-m_z	1.17000	0.01000	1.19000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.75000	0.00000	-m_x,-m_y,-m_z	1.17000	0.01000	1.19000
8	0.50000	0.25000	0.00000	-m_x,-m_y,-m_z	1.17000	0.01000	1.19000

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	0.25000	0.00000	0.00000	m_x,m_y,m_z	-1.03000	0.00000	-1.09000
2	0.75000	0.00000	0.00000	m_x,m_y,m_z	-1.03000	0.00000	-1.09000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.50000	0.50000	m_x,m_y,m_z	-1.03000	0.00000	-1.09000
4	0.25000	0.50000	0.50000	m_x,m_y,m_z	-1.03000	0.00000	-1.09000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.50000	-m_x,-m_y,-m_z	1.03000	0.00000	1.09000
6	0.75000	0.00000	0.50000	-m_x,-m_y,-m_z	1.03000	0.00000	1.09000
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.50000	0.00000	-m_x,-m_y,-m_z	1.03000	0.00000	1.09000
8	0.25000	0.50000	0.00000	-m_x,-m_y,-m_z	1.03000	0.00000	1.09000

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	0.25000	0.25000	m_x,m_y,m_z	-1.03000	0.00000	-1.09000
2	0.00000	0.75000	0.75000	m_x,m_y,m_z	-1.03000	0.00000	-1.09000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.75000	m_x,m_y,m_z	-1.03000	0.00000	-1.09000
4	0.50000	0.25000	0.25000	m_x,m_y,m_z	-1.03000	0.00000	-1.09000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.25000	0.75000	-m_x,-m_y,-m_z	1.03000	0.00000	1.09000
6	0.00000	0.75000	0.25000	-m_x,-m_y,-m_z	1.03000	0.00000	1.09000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.75000	0.25000	-m_x,-m_y,-m_z	1.03000	0.00000	1.09000
8	0.50000	0.25000	0.75000	-m_x,-m_y,-m_z	1.03000	0.00000	1.09000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sc1_1:

Atom	x	y	z
1	0.48650	0.03850	0.12700
2	0.51350	0.96150	0.87300
(1/2,1/2,1/2) + set click here to show and hide
3	0.98650	0.53850	0.62700
4	0.01350	0.46150	0.37300
(0,0,1/2)' + set click here to show and hide
5	0.48650	0.03850	0.62700
6	0.51350	0.96150	0.37300
(1/2,1/2,0)' + set click here to show and hide
7	0.98650	0.53850	0.12700
8	0.01350	0.46150	0.87300

Set of atoms in the unit cell related by symmetry with the atom Sc1_2:

Atom	x	y	z
1	0.76350	0.28850	0.12300
2	0.23650	0.71150	0.87700
(1/2,1/2,1/2) + set click here to show and hide
3	0.26350	0.78850	0.62300
4	0.73650	0.21150	0.37700
(0,0,1/2)' + set click here to show and hide
5	0.76350	0.28850	0.62300
6	0.23650	0.71150	0.37700
(1/2,1/2,0)' + set click here to show and hide
7	0.26350	0.78850	0.12300
8	0.73650	0.21150	0.87700

Set of atoms in the unit cell related by symmetry with the atom Sc1_3:

Atom	x	y	z
1	0.48650	0.53850	0.12700
2	0.51350	0.46150	0.87300
(1/2,1/2,1/2) + set click here to show and hide
3	0.98650	0.03850	0.62700
4	0.01350	0.96150	0.37300
(0,0,1/2)' + set click here to show and hide
5	0.48650	0.53850	0.62700
6	0.51350	0.46150	0.37300
(1/2,1/2,0)' + set click here to show and hide
7	0.98650	0.03850	0.12700
8	0.01350	0.96150	0.87300

Set of atoms in the unit cell related by symmetry with the atom Sc1_4:

Atom	x	y	z
1	0.76350	0.78850	0.12300
2	0.23650	0.21150	0.87700
(1/2,1/2,1/2) + set click here to show and hide
3	0.26350	0.28850	0.62300
4	0.73650	0.71150	0.37700
(0,0,1/2)' + set click here to show and hide
5	0.76350	0.78850	0.62300
6	0.23650	0.21150	0.37700
(1/2,1/2,0)' + set click here to show and hide
7	0.26350	0.28850	0.12300
8	0.73650	0.71150	0.87700

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

Atom	x	y	z
1	0.18300	0.46900	0.12900
2	0.81700	0.53100	0.87100
(1/2,1/2,1/2) + set click here to show and hide
3	0.68300	0.96900	0.62900
4	0.31700	0.03100	0.37100
(0,0,1/2)' + set click here to show and hide
5	0.18300	0.46900	0.62900
6	0.81700	0.53100	0.37100
(1/2,1/2,0)' + set click here to show and hide
7	0.68300	0.96900	0.12900
8	0.31700	0.03100	0.87100

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

Atom	x	y	z
1	0.06700	0.71900	0.12100
2	0.93300	0.28100	0.87900
(1/2,1/2,1/2) + set click here to show and hide
3	0.56700	0.21900	0.62100
4	0.43300	0.78100	0.37900
(0,0,1/2)' + set click here to show and hide
5	0.06700	0.71900	0.62100
6	0.93300	0.28100	0.37900
(1/2,1/2,0)' + set click here to show and hide
7	0.56700	0.21900	0.12100
8	0.43300	0.78100	0.87900

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.18300	0.96900	0.12900
2	0.81700	0.03100	0.87100
(1/2,1/2,1/2) + set click here to show and hide
3	0.68300	0.46900	0.62900
4	0.31700	0.53100	0.37100
(0,0,1/2)' + set click here to show and hide
5	0.18300	0.96900	0.62900
6	0.81700	0.03100	0.37100
(1/2,1/2,0)' + set click here to show and hide
7	0.68300	0.46900	0.12900
8	0.31700	0.53100	0.87100

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.06700	0.21900	0.12100
2	0.93300	0.78100	0.87900
(1/2,1/2,1/2) + set click here to show and hide
3	0.56700	0.71900	0.62100
4	0.43300	0.28100	0.37900
(0,0,1/2)' + set click here to show and hide
5	0.06700	0.21900	0.62100
6	0.93300	0.78100	0.37900
(1/2,1/2,0)' + set click here to show and hide
7	0.56700	0.71900	0.12100
8	0.43300	0.28100	0.87900

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

Atom	x	y	z
1	0.09600	0.09200	0.28150
2	0.90400	0.90800	0.71850
(1/2,1/2,1/2) + set click here to show and hide
3	0.59600	0.59200	0.78150
4	0.40400	0.40800	0.21850
(0,0,1/2)' + set click here to show and hide
5	0.09600	0.09200	0.78150
6	0.90400	0.90800	0.21850
(1/2,1/2,0)' + set click here to show and hide
7	0.59600	0.59200	0.28150
8	0.40400	0.40800	0.71850

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

Atom	x	y	z
1	0.15400	0.34200	0.96850
2	0.84600	0.65800	0.03150
(1/2,1/2,1/2) + set click here to show and hide
3	0.65400	0.84200	0.46850
4	0.34600	0.15800	0.53150
(0,0,1/2)' + set click here to show and hide
5	0.15400	0.34200	0.46850
6	0.84600	0.65800	0.53150
(1/2,1/2,0)' + set click here to show and hide
7	0.65400	0.84200	0.96850
8	0.34600	0.15800	0.03150

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.09600	0.59200	0.28150
2	0.90400	0.40800	0.71850
(1/2,1/2,1/2) + set click here to show and hide
3	0.59600	0.09200	0.78150
4	0.40400	0.90800	0.21850
(0,0,1/2)' + set click here to show and hide
5	0.09600	0.59200	0.78150
6	0.90400	0.40800	0.21850
(1/2,1/2,0)' + set click here to show and hide
7	0.59600	0.09200	0.28150
8	0.40400	0.90800	0.71850

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.15400	0.84200	0.96850
2	0.84600	0.15800	0.03150
(1/2,1/2,1/2) + set click here to show and hide
3	0.65400	0.34200	0.46850
4	0.34600	0.65800	0.53150
(0,0,1/2)' + set click here to show and hide
5	0.15400	0.84200	0.46850
6	0.84600	0.15800	0.53150
(1/2,1/2,0)' + set click here to show and hide
7	0.65400	0.34200	0.96850
8	0.34600	0.65800	0.03150

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

Atom	x	y	z
1	0.33700	0.15000	0.21300
2	0.66300	0.85000	0.78700
(1/2,1/2,1/2) + set click here to show and hide
3	0.83700	0.65000	0.71300
4	0.16300	0.35000	0.28700
(0,0,1/2)' + set click here to show and hide
5	0.33700	0.15000	0.71300
6	0.66300	0.85000	0.28700
(1/2,1/2,0)' + set click here to show and hide
7	0.83700	0.65000	0.21300
8	0.16300	0.35000	0.78700

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

Atom	x	y	z
1	0.91300	0.40000	0.03700
2	0.08700	0.60000	0.96300
(1/2,1/2,1/2) + set click here to show and hide
3	0.41300	0.90000	0.53700
4	0.58700	0.10000	0.46300
(0,0,1/2)' + set click here to show and hide
5	0.91300	0.40000	0.53700
6	0.08700	0.60000	0.46300
(1/2,1/2,0)' + set click here to show and hide
7	0.41300	0.90000	0.03700
8	0.58700	0.10000	0.96300

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.33700	0.65000	0.21300
2	0.66300	0.35000	0.78700
(1/2,1/2,1/2) + set click here to show and hide
3	0.83700	0.15000	0.71300
4	0.16300	0.85000	0.28700
(0,0,1/2)' + set click here to show and hide
5	0.33700	0.65000	0.71300
6	0.66300	0.35000	0.28700
(1/2,1/2,0)' + set click here to show and hide
7	0.83700	0.15000	0.21300
8	0.16300	0.85000	0.78700

Set of atoms in the unit cell related by symmetry with the atom O3_4:

Atom	x	y	z
1	0.91300	0.90000	0.03700
2	0.08700	0.10000	0.96300
(1/2,1/2,1/2) + set click here to show and hide
3	0.41300	0.40000	0.53700
4	0.58700	0.60000	0.46300
(0,0,1/2)' + set click here to show and hide
5	0.91300	0.90000	0.53700
6	0.08700	0.10000	0.46300
(1/2,1/2,0)' + set click here to show and hide
7	0.41300	0.40000	0.03700
8	0.58700	0.60000	0.96300

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	1.17(18)	-0.01(1)	1.19(23)	1.66
Mn1_2	Mn	0.00000	0.25000	0.00000	8	m_x,m_y,m_z	-1.17	-0.01	-1.19	1.66
Ni1_1	Ni	0.25000	0.00000	0.00000	8	m_x,m_y,m_z	-1.03(42)	0.0	-1.09(27)	1.49
Ni1_2	Ni	0.00000	0.25000	0.25000	8	m_x,m_y,m_z	-1.03	0.0	-1.09	1.49

[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: