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+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
3	x,y,-z+3/4,+1	{ m₀₀₁ \| 0 0 3/4 }
4	-x+1/4,y+1/2,z,+1	{ m₁₀₀ \| 1/4 1/2 0 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+3/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 3/4 1/2 1/4 }
7	x+1/2,y,-z+1/4,+1	{ m₀₀₁ \| 1/2 0 1/4 }
8	-x+3/4,y+1/2,z+1/2,+1	{ m₁₀₀ \| 3/4 1/2 1/2 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x+1/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 1/2 1/4 }
11	x,y,-z+1/4,-1	{ m'₀₀₁ \| 0 0 1/4 }
12	-x+1/4,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/4 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
13	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
14	-x+3/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 3/4 1/2 3/4 }
15	x+1/2,y,-z+3/4,-1	{ m'₀₀₁ \| 1/2 0 3/4 }
16	-x+3/4,y+1/2,z,-1	{ m'₁₀₀ \| 3/4 1/2 0 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	x,y,-z,+1	m₀₀₁
4	-x,y,z,+1	m₁₀₀
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	m'₀₀₁
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Nd1_1	Nd	0.49700	0.03840	0.12500	8	m_x,m_y,0	0.0	0.00
Nd1_2	Nd	0.24700	0.4616	0.37500	8	0,0,m_z	0.0	0.00
Ni1	Ni	0.25000	0.00000	0.00000	16	m_x,m_y,m_z	0.94(4)	0.94

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.03655	0.4919	0.12500	8
O1_2	O	0.28655	0.00810	0.37500	8
O2_1	O	0.35580	0.2866	0.01935	16
O2_2	O	0.1058	0.2134	0.48065	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 Nd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49700	0.03840	0.12500	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.75300	0.53840	0.62500	-m_x,m_y,0	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.99700	0.03840	0.62500	m_x,m_y,0	0.00000	0.00000	0.00000
4	0.25300	0.53840	0.12500	-m_x,m_y,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.49700	0.03840	0.62500	-m_x,-m_y,0	0.00000	0.00000	0.00000
6	0.75300	0.53840	0.12500	m_x,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.99700	0.03840	0.12500	-m_x,-m_y,0	0.00000	0.00000	0.00000
8	0.25300	0.53840	0.62500	m_x,-m_y,0	0.00000	0.00000	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	0.24700	0.46160	0.37500	0,0,m_z	0.00000	0.00000	0.00000
2	0.00300	0.96160	0.37500	0,0,-m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.74700	0.46160	0.87500	0,0,m_z	0.00000	0.00000	0.00000
4	0.50300	0.96160	0.87500	0,0,-m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.24700	0.46160	0.87500	0,0,-m_z	0.00000	0.00000	0.00000
6	0.00300	0.96160	0.87500	0,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.74700	0.46160	0.37500	0,0,-m_z	0.00000	0.00000	0.00000
8	0.50300	0.96160	0.37500	0,0,m_z	0.00000	0.00000	0.00000

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	m_x,m_y,m_z	0.94000	0.00000	0.00000
2	0.00000	0.50000	0.75000	-m_x,m_y,-m_z	-0.94000	0.00000	0.00000
3	0.25000	0.00000	0.75000	-m_x,-m_y,m_z	-0.94000	0.00000	0.00000
4	0.00000	0.50000	0.00000	m_x,-m_y,-m_z	0.94000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.50000	m_x,m_y,m_z	0.94000	0.00000	0.00000
6	0.50000	0.50000	0.25000	-m_x,m_y,-m_z	-0.94000	0.00000	0.00000
7	0.75000	0.00000	0.25000	-m_x,-m_y,m_z	-0.94000	0.00000	0.00000
8	0.50000	0.50000	0.50000	m_x,-m_y,-m_z	0.94000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.00000	0.50000	-m_x,-m_y,-m_z	-0.94000	0.00000	0.00000
10	0.00000	0.50000	0.25000	m_x,-m_y,m_z	0.94000	0.00000	0.00000
11	0.25000	0.00000	0.25000	m_x,m_y,-m_z	0.94000	0.00000	0.00000
12	0.00000	0.50000	0.50000	-m_x,m_y,m_z	-0.94000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.00000	0.00000	-m_x,-m_y,-m_z	-0.94000	0.00000	0.00000
14	0.50000	0.50000	0.75000	m_x,-m_y,m_z	0.94000	0.00000	0.00000
15	0.75000	0.00000	0.75000	m_x,m_y,-m_z	0.94000	0.00000	0.00000
16	0.50000	0.50000	0.00000	-m_x,m_y,m_z	-0.94000	0.00000	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	0.03655	0.49190	0.12500
2	0.21345	0.99190	0.62500
(1/2,0,1/2) + set click here to show and hide
3	0.53655	0.49190	0.62500
4	0.71345	0.99190	0.12500
(0,0,1/2)' + set click here to show and hide
5	0.03655	0.49190	0.62500
6	0.21345	0.99190	0.12500
(1/2,0,0)' + set click here to show and hide
7	0.53655	0.49190	0.12500
8	0.71345	0.99190	0.62500

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

Atom	x	y	z
1	0.28655	0.00810	0.37500
2	0.96345	0.50810	0.37500
(1/2,0,1/2) + set click here to show and hide
3	0.78655	0.00810	0.87500
4	0.46345	0.50810	0.87500
(0,0,1/2)' + set click here to show and hide
5	0.28655	0.00810	0.87500
6	0.96345	0.50810	0.87500
(1/2,0,0)' + set click here to show and hide
7	0.78655	0.00810	0.37500
8	0.46345	0.50810	0.37500

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

Atom	x	y	z
1	0.35580	0.28660	0.01935
2	0.89420	0.78660	0.73065
3	0.35580	0.28660	0.73065
4	0.89420	0.78660	0.01935
(1/2,0,1/2) + set click here to show and hide
5	0.85580	0.28660	0.51935
6	0.39420	0.78660	0.23065
7	0.85580	0.28660	0.23065
8	0.39420	0.78660	0.51935
(0,0,1/2)' + set click here to show and hide
9	0.35580	0.28660	0.51935
10	0.89420	0.78660	0.23065
11	0.35580	0.28660	0.23065
12	0.89420	0.78660	0.51935
(1/2,0,0)' + set click here to show and hide
13	0.85580	0.28660	0.01935
14	0.39420	0.78660	0.73065
15	0.85580	0.28660	0.73065
16	0.39420	0.78660	0.01935

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

Atom	x	y	z
1	0.10580	0.21340	0.48065
2	0.14420	0.71340	0.26935
3	0.10580	0.21340	0.26935
4	0.14420	0.71340	0.48065
(1/2,0,1/2) + set click here to show and hide
5	0.60580	0.21340	0.98065
6	0.64420	0.71340	0.76935
7	0.60580	0.21340	0.76935
8	0.64420	0.71340	0.98065
(0,0,1/2)' + set click here to show and hide
9	0.10580	0.21340	0.98065
10	0.14420	0.71340	0.76935
11	0.10580	0.21340	0.76935
12	0.14420	0.71340	0.98065
(1/2,0,0)' + set click here to show and hide
13	0.60580	0.21340	0.48065
14	0.64420	0.71340	0.26935
15	0.60580	0.21340	0.26935
16	0.64420	0.71340	0.48065

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Nd1_1	Nd	0.49700	0.03840	0.12500	8	m_x,m_y,0	0.0	0.00
Nd1_2	Nd	0.24700	0.4616	0.37500	8	0,0,m_z	0.0	0.00
Ni1	Ni	0.25000	0.00000	0.00000	16	m_x,m_y,m_z	0.94(4)	0.94

[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:

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	0.49700	0.03840	0.12500	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.75300	0.53840	0.62500	-m_x,m_y,0	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.99700	0.03840	0.62500	m_x,m_y,0	0.00000	0.00000	0.00000
4	0.25300	0.53840	0.12500	-m_x,m_y,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.49700	0.03840	0.62500	-m_x,-m_y,0	0.00000	0.00000	0.00000
6	0.75300	0.53840	0.12500	m_x,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.99700	0.03840	0.12500	-m_x,-m_y,0	0.00000	0.00000	0.00000
8	0.25300	0.53840	0.62500	m_x,-m_y,0	0.00000	0.00000	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	0.24700	0.46160	0.37500	0,0,m_z	0.00000	0.00000	0.00000
2	0.00300	0.96160	0.37500	0,0,-m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.74700	0.46160	0.87500	0,0,m_z	0.00000	0.00000	0.00000
4	0.50300	0.96160	0.87500	0,0,-m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.24700	0.46160	0.87500	0,0,-m_z	0.00000	0.00000	0.00000
6	0.00300	0.96160	0.87500	0,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.74700	0.46160	0.37500	0,0,-m_z	0.00000	0.00000	0.00000
8	0.50300	0.96160	0.37500	0,0,m_z	0.00000	0.00000	0.00000

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	m_x,m_y,m_z	0.94000	0.00000	0.00000
2	0.00000	0.50000	0.75000	-m_x,m_y,-m_z	-0.94000	0.00000	0.00000
3	0.25000	0.00000	0.75000	-m_x,-m_y,m_z	-0.94000	0.00000	0.00000
4	0.00000	0.50000	0.00000	m_x,-m_y,-m_z	0.94000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.50000	m_x,m_y,m_z	0.94000	0.00000	0.00000
6	0.50000	0.50000	0.25000	-m_x,m_y,-m_z	-0.94000	0.00000	0.00000
7	0.75000	0.00000	0.25000	-m_x,-m_y,m_z	-0.94000	0.00000	0.00000
8	0.50000	0.50000	0.50000	m_x,-m_y,-m_z	0.94000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.00000	0.50000	-m_x,-m_y,-m_z	-0.94000	0.00000	0.00000
10	0.00000	0.50000	0.25000	m_x,-m_y,m_z	0.94000	0.00000	0.00000
11	0.25000	0.00000	0.25000	m_x,m_y,-m_z	0.94000	0.00000	0.00000
12	0.00000	0.50000	0.50000	-m_x,m_y,m_z	-0.94000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.00000	0.00000	-m_x,-m_y,-m_z	-0.94000	0.00000	0.00000
14	0.50000	0.50000	0.75000	m_x,-m_y,m_z	0.94000	0.00000	0.00000
15	0.75000	0.00000	0.75000	m_x,m_y,-m_z	0.94000	0.00000	0.00000
16	0.50000	0.50000	0.00000	-m_x,m_y,m_z	-0.94000	0.00000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action
mT1	2	2	special	primary

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

NdNiO₃ (#1.45)

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

NdNiO3 (#1.45)

NdNiO₃ (#1.45)