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_y	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	-1.27(4)	1.27
Ni1_2	Ni	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	1.27(4)	1.27
Ir1_1	Ir	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	-0.32(5)	0.32
Ir1_2	Ir	0.25000	0.25000	0.50000	4	m_x,m_y,m_z	0.32(5)	0.32
Nd1_1	Nd	0.00800	0.28245	0.75900	8	m_x,m_y,m_z	-2.20(4)	2.20
Nd1_2	Nd	0.24200	0.53245	0.74100	8	m_x,m_y,m_z	2.20(4)	2.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.05050	0.01400	0.26200	8
O1_2	O	0.19950	0.26400	0.23800	8
O2_1	O	0.09200	0.14250	0.94700	8
O2_2	O	0.15800	0.39250	0.55300	8
O3_1	O	0.10050	0.15850	0.54900	8
O3_2	O	0.14950	0.40850	0.95100	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	0.00000	-1.27000	0.00000
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2	0.50000	0.50000	0.50000	m_x,m_y,m_z	0.00000	-1.27000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.50000	0.50000	-m_x,-m_y,-m_z	0.00000	1.27000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	1.27000	0.00000

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	0.00000	1.27000	0.00000
(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	0.00000	1.27000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	-1.27000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.25000	0.00000	-m_x,-m_y,-m_z	0.00000	-1.27000	0.00000

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	-0.32000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	m_x,m_y,m_z	0.00000	-0.32000	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	0.32000	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	0.32000	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	0.32000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.50000	m_x,m_y,m_z	0.00000	0.32000	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	-0.32000	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	-0.32000	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	0.00800	0.28245	0.75900	m_x,m_y,m_z	0.00000	-2.20000	0.00000
2	0.99200	0.71755	0.24100	m_x,m_y,m_z	0.00000	-2.20000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50800	0.78245	0.75900	m_x,m_y,m_z	0.00000	-2.20000	0.00000
4	0.49200	0.21755	0.24100	m_x,m_y,m_z	0.00000	-2.20000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.00800	0.78245	0.75900	-m_x,-m_y,-m_z	0.00000	2.20000	0.00000
6	0.99200	0.21755	0.24100	-m_x,-m_y,-m_z	0.00000	2.20000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50800	0.28245	0.75900	-m_x,-m_y,-m_z	0.00000	2.20000	0.00000
8	0.49200	0.71755	0.24100	-m_x,-m_y,-m_z	0.00000	2.20000	0.00000

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	0.24200	0.53245	0.74100	m_x,m_y,m_z	0.00000	2.20000	0.00000
2	0.75800	0.46755	0.25900	m_x,m_y,m_z	0.00000	2.20000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.74200	0.03245	0.74100	m_x,m_y,m_z	0.00000	2.20000	0.00000
4	0.25800	0.96755	0.25900	m_x,m_y,m_z	0.00000	2.20000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.24200	0.03245	0.74100	-m_x,-m_y,-m_z	0.00000	-2.20000	0.00000
6	0.75800	0.96755	0.25900	-m_x,-m_y,-m_z	0.00000	-2.20000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.74200	0.53245	0.74100	-m_x,-m_y,-m_z	0.00000	-2.20000	0.00000
8	0.25800	0.46755	0.25900	-m_x,-m_y,-m_z	0.00000	-2.20000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.05050	0.01400	0.26200
2	0.94950	0.98600	0.73800
(1/2,1/2,0) + set click here to show and hide
3	0.55050	0.51400	0.26200
4	0.44950	0.48600	0.73800
(0,1/2,0)' + set click here to show and hide
5	0.05050	0.51400	0.26200
6	0.94950	0.48600	0.73800
(1/2,0,0)' + set click here to show and hide
7	0.55050	0.01400	0.26200
8	0.44950	0.98600	0.73800

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

Atom	x	y	z
1	0.19950	0.26400	0.23800
2	0.80050	0.73600	0.76200
(1/2,1/2,0) + set click here to show and hide
3	0.69950	0.76400	0.23800
4	0.30050	0.23600	0.76200
(0,1/2,0)' + set click here to show and hide
5	0.19950	0.76400	0.23800
6	0.80050	0.23600	0.76200
(1/2,0,0)' + set click here to show and hide
7	0.69950	0.26400	0.23800
8	0.30050	0.73600	0.76200

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

Atom	x	y	z
1	0.09200	0.14250	0.94700
2	0.90800	0.85750	0.05300
(1/2,1/2,0) + set click here to show and hide
3	0.59200	0.64250	0.94700
4	0.40800	0.35750	0.05300
(0,1/2,0)' + set click here to show and hide
5	0.09200	0.64250	0.94700
6	0.90800	0.35750	0.05300
(1/2,0,0)' + set click here to show and hide
7	0.59200	0.14250	0.94700
8	0.40800	0.85750	0.05300

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

Atom	x	y	z
1	0.15800	0.39250	0.55300
2	0.84200	0.60750	0.44700
(1/2,1/2,0) + set click here to show and hide
3	0.65800	0.89250	0.55300
4	0.34200	0.10750	0.44700
(0,1/2,0)' + set click here to show and hide
5	0.15800	0.89250	0.55300
6	0.84200	0.10750	0.44700
(1/2,0,0)' + set click here to show and hide
7	0.65800	0.39250	0.55300
8	0.34200	0.60750	0.44700

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

Atom	x	y	z
1	0.10050	0.15850	0.54900
2	0.89950	0.84150	0.45100
(1/2,1/2,0) + set click here to show and hide
3	0.60050	0.65850	0.54900
4	0.39950	0.34150	0.45100
(0,1/2,0)' + set click here to show and hide
5	0.10050	0.65850	0.54900
6	0.89950	0.34150	0.45100
(1/2,0,0)' + set click here to show and hide
7	0.60050	0.15850	0.54900
8	0.39950	0.84150	0.45100

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

Atom	x	y	z
1	0.14950	0.40850	0.95100
2	0.85050	0.59150	0.04900
(1/2,1/2,0) + set click here to show and hide
3	0.64950	0.90850	0.95100
4	0.35050	0.09150	0.04900
(0,1/2,0)' + set click here to show and hide
5	0.14950	0.90850	0.95100
6	0.85050	0.09150	0.04900
(1/2,0,0)' + set click here to show and hide
7	0.64950	0.40850	0.95100
8	0.35050	0.59150	0.04900

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	-1.27(4)	1.27
Ni1_2	Ni	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	1.27(4)	1.27
Ir1_1	Ir	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	-0.32(5)	0.32
Ir1_2	Ir	0.25000	0.25000	0.50000	4	m_x,m_y,m_z	0.32(5)	0.32
Nd1_1	Nd	0.00800	0.28245	0.75900	8	m_x,m_y,m_z	-2.20(4)	2.20
Nd1_2	Nd	0.24200	0.53245	0.74100	8	m_x,m_y,m_z	2.20(4)	2.20

[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: