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 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
(0,1/2,0)' + set click here to show and hide
5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 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\|
Ni1_1	Ni	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	-1.84(8)	0.0	-0.72(6)	1.98
Ni1_2	Ni	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	1.84(8)	0.0	-0.72(6)	1.98
Ir1_1	Ir	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.0	-0.37(5)	0.0	0.37
Ir1_2	Ir	0.25000	0.25000	0.50000	4	m_x,m_y,m_z	0.0	0.37(5)	0.0	0.37
Nd1_1	Nd	0.00700	0.28135	0.75200	8	m_x,m_y,m_z	0.0	-1.98(2)	0.32(5)	2.01
Nd1_2	Nd	0.24300	0.53135	0.74800	8	m_x,m_y,m_z	0.0	1.98(2)	0.32(5)	2.01

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.04970	0.01400	0.24100	8
O1_2	O	0.20030	0.26400	0.25900	8
O2_1	O	0.09800	0.15000	0.94100	8
O2_2	O	0.15200	0.40000	0.55900	8
O3_1	O	0.09800	0.15150	0.54060	8
O3_2	O	0.15200	0.40150	0.95940	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 Ni1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	-1.84000	0.00000	-0.72000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.50000	m_x,m_y,m_z	-1.84000	0.00000	-0.72000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.50000	0.50000	-m_x,-m_y,-m_z	1.84000	0.00000	0.72000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	1.84000	0.00000	0.72000

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	0.25000	0.00000	m_x,m_y,m_z	1.84000	0.00000	-0.72000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.00000	m_x,m_y,m_z	1.84000	0.00000	-0.72000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.00000	-m_x,-m_y,-m_z	-1.84000	0.00000	0.72000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.25000	0.00000	-m_x,-m_y,-m_z	-1.84000	0.00000	0.72000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1_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	0.00000	-0.37000	0.00000
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2	0.50000	0.50000	0.00000	m_x,m_y,m_z	0.00000	-0.37000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.37000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.37000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.50000	m_x,m_y,m_z	0.00000	0.37000	0.00000
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2	0.75000	0.75000	0.50000	m_x,m_y,m_z	0.00000	0.37000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.50000	-m_x,-m_y,-m_z	0.00000	-0.37000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.25000	0.50000	-m_x,-m_y,-m_z	0.00000	-0.37000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00700	0.28135	0.75200	m_x,m_y,m_z	0.00000	-1.98000	0.32000
2	0.99300	0.71865	0.24800	m_x,m_y,m_z	0.00000	-1.98000	0.32000
(1/2,1/2,0) + set click here to show and hide
3	0.50700	0.78135	0.75200	m_x,m_y,m_z	0.00000	-1.98000	0.32000
4	0.49300	0.21865	0.24800	m_x,m_y,m_z	0.00000	-1.98000	0.32000
(0,1/2,0)' + set click here to show and hide
5	0.00700	0.78135	0.75200	-m_x,-m_y,-m_z	0.00000	1.98000	-0.32000
6	0.99300	0.21865	0.24800	-m_x,-m_y,-m_z	0.00000	1.98000	-0.32000
(1/2,0,0)' + set click here to show and hide
7	0.50700	0.28135	0.75200	-m_x,-m_y,-m_z	0.00000	1.98000	-0.32000
8	0.49300	0.71865	0.24800	-m_x,-m_y,-m_z	0.00000	1.98000	-0.32000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24300	0.53135	0.74800	m_x,m_y,m_z	0.00000	1.98000	0.32000
2	0.75700	0.46865	0.25200	m_x,m_y,m_z	0.00000	1.98000	0.32000
(1/2,1/2,0) + set click here to show and hide
3	0.74300	0.03135	0.74800	m_x,m_y,m_z	0.00000	1.98000	0.32000
4	0.25700	0.96865	0.25200	m_x,m_y,m_z	0.00000	1.98000	0.32000
(0,1/2,0)' + set click here to show and hide
5	0.24300	0.03135	0.74800	-m_x,-m_y,-m_z	0.00000	-1.98000	-0.32000
6	0.75700	0.96865	0.25200	-m_x,-m_y,-m_z	0.00000	-1.98000	-0.32000
(1/2,0,0)' + set click here to show and hide
7	0.74300	0.53135	0.74800	-m_x,-m_y,-m_z	0.00000	-1.98000	-0.32000
8	0.25700	0.46865	0.25200	-m_x,-m_y,-m_z	0.00000	-1.98000	-0.32000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.04970	0.01400	0.24100
2	0.95030	0.98600	0.75900
(1/2,1/2,0) + set click here to show and hide
3	0.54970	0.51400	0.24100
4	0.45030	0.48600	0.75900
(0,1/2,0)' + set click here to show and hide
5	0.04970	0.51400	0.24100
6	0.95030	0.48600	0.75900
(1/2,0,0)' + set click here to show and hide
7	0.54970	0.01400	0.24100
8	0.45030	0.98600	0.75900

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

Atom	x	y	z
1	0.20030	0.26400	0.25900
2	0.79970	0.73600	0.74100
(1/2,1/2,0) + set click here to show and hide
3	0.70030	0.76400	0.25900
4	0.29970	0.23600	0.74100
(0,1/2,0)' + set click here to show and hide
5	0.20030	0.76400	0.25900
6	0.79970	0.23600	0.74100
(1/2,0,0)' + set click here to show and hide
7	0.70030	0.26400	0.25900
8	0.29970	0.73600	0.74100

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

Atom	x	y	z
1	0.09800	0.15000	0.94100
2	0.90200	0.85000	0.05900
(1/2,1/2,0) + set click here to show and hide
3	0.59800	0.65000	0.94100
4	0.40200	0.35000	0.05900
(0,1/2,0)' + set click here to show and hide
5	0.09800	0.65000	0.94100
6	0.90200	0.35000	0.05900
(1/2,0,0)' + set click here to show and hide
7	0.59800	0.15000	0.94100
8	0.40200	0.85000	0.05900

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

Atom	x	y	z
1	0.15200	0.40000	0.55900
2	0.84800	0.60000	0.44100
(1/2,1/2,0) + set click here to show and hide
3	0.65200	0.90000	0.55900
4	0.34800	0.10000	0.44100
(0,1/2,0)' + set click here to show and hide
5	0.15200	0.90000	0.55900
6	0.84800	0.10000	0.44100
(1/2,0,0)' + set click here to show and hide
7	0.65200	0.40000	0.55900
8	0.34800	0.60000	0.44100

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

Atom	x	y	z
1	0.09800	0.15150	0.54060
2	0.90200	0.84850	0.45940
(1/2,1/2,0) + set click here to show and hide
3	0.59800	0.65150	0.54060
4	0.40200	0.34850	0.45940
(0,1/2,0)' + set click here to show and hide
5	0.09800	0.65150	0.54060
6	0.90200	0.34850	0.45940
(1/2,0,0)' + set click here to show and hide
7	0.59800	0.15150	0.54060
8	0.40200	0.84850	0.45940

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

Atom	x	y	z
1	0.15200	0.40150	0.95940
2	0.84800	0.59850	0.04060
(1/2,1/2,0) + set click here to show and hide
3	0.65200	0.90150	0.95940
4	0.34800	0.09850	0.04060
(0,1/2,0)' + set click here to show and hide
5	0.15200	0.90150	0.95940
6	0.84800	0.09850	0.04060
(1/2,0,0)' + set click here to show and hide
7	0.65200	0.40150	0.95940
8	0.34800	0.59850	0.04060

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	-1.84(8)	0.0	-0.72(6)	1.98
Ni1_2	Ni	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	1.84(8)	0.0	-0.72(6)	1.98
Ir1_1	Ir	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.0	-0.37(5)	0.0	0.37
Ir1_2	Ir	0.25000	0.25000	0.50000	4	m_x,m_y,m_z	0.0	0.37(5)	0.0	0.37
Nd1_1	Nd	0.00700	0.28135	0.75200	8	m_x,m_y,m_z	0.0	-1.98(2)	0.32(5)	2.01
Nd1_2	Nd	0.24300	0.53135	0.74800	8	m_x,m_y,m_z	0.0	1.98(2)	0.32(5)	2.01

[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: