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 }

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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	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\|
Pr1_1	Pr	0.49695	0.03290	0.12500	8	m_x,m_y,0	0.0	0.00
Pr1_2	Pr	0.24695	0.4671	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	0.93(1)	0.93

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.03520	0.49250	0.12500	8
O1_2	O	0.28520	0.00750	0.37500	8
O2_1	O	0.35905	0.28200	0.01860	16
O2_2	O	0.10905	0.21800	0.48140	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 Pr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49695	0.03290	0.12500	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.75305	0.53290	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	0.99695	0.03290	0.62500	m_x,m_y,0	0.00000	0.00000	0.00000
4	0.25305	0.53290	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	0.49695	0.03290	0.62500	-m_x,-m_y,0	0.00000	0.00000	0.00000
6	0.75305	0.53290	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	0.99695	0.03290	0.12500	-m_x,-m_y,0	0.00000	0.00000	0.00000
8	0.25305	0.53290	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 Pr1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24695	0.46710	0.37500	0,0,m_z	0.00000	0.00000	0.00000
2	0.00305	0.96710	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	0.74695	0.46710	0.87500	0,0,m_z	0.00000	0.00000	0.00000
4	0.50305	0.96710	0.87500	0,0,-m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.24695	0.46710	0.87500	0,0,-m_z	0.00000	0.00000	0.00000
6	0.00305	0.96710	0.87500	0,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.74695	0.46710	0.37500	0,0,-m_z	0.00000	0.00000	0.00000
8	0.50305	0.96710	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	0.93000	0.00000	0.00000
2	0.00000	0.50000	0.75000	-m_x,m_y,-m_z	-0.93000	0.00000	0.00000
3	0.25000	0.00000	0.75000	-m_x,-m_y,m_z	-0.93000	0.00000	0.00000
4	0.00000	0.50000	0.00000	m_x,-m_y,-m_z	0.93000	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	0.93000	0.00000	0.00000
6	0.50000	0.50000	0.25000	-m_x,m_y,-m_z	-0.93000	0.00000	0.00000
7	0.75000	0.00000	0.25000	-m_x,-m_y,m_z	-0.93000	0.00000	0.00000
8	0.50000	0.50000	0.50000	m_x,-m_y,-m_z	0.93000	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	-0.93000	0.00000	0.00000
10	0.00000	0.50000	0.25000	m_x,-m_y,m_z	0.93000	0.00000	0.00000
11	0.25000	0.00000	0.25000	m_x,m_y,-m_z	0.93000	0.00000	0.00000
12	0.00000	0.50000	0.50000	-m_x,m_y,m_z	-0.93000	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	-0.93000	0.00000	0.00000
14	0.50000	0.50000	0.75000	m_x,-m_y,m_z	0.93000	0.00000	0.00000
15	0.75000	0.00000	0.75000	m_x,m_y,-m_z	0.93000	0.00000	0.00000
16	0.50000	0.50000	0.00000	-m_x,m_y,m_z	-0.93000	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	0.03520	0.49250	0.12500
2	0.21480	0.99250	0.62500
(1/2,0,1/2) + set click here to show and hide
3	0.53520	0.49250	0.62500
4	0.71480	0.99250	0.12500
(0,0,1/2)' + set click here to show and hide
5	0.03520	0.49250	0.62500
6	0.21480	0.99250	0.12500
(1/2,0,0)' + set click here to show and hide
7	0.53520	0.49250	0.12500
8	0.71480	0.99250	0.62500

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

Atom	x	y	z
1	0.28520	0.00750	0.37500
2	0.96480	0.50750	0.37500
(1/2,0,1/2) + set click here to show and hide
3	0.78520	0.00750	0.87500
4	0.46480	0.50750	0.87500
(0,0,1/2)' + set click here to show and hide
5	0.28520	0.00750	0.87500
6	0.96480	0.50750	0.87500
(1/2,0,0)' + set click here to show and hide
7	0.78520	0.00750	0.37500
8	0.46480	0.50750	0.37500

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

Atom	x	y	z
1	0.35905	0.28200	0.01860
2	0.89095	0.78200	0.73140
3	0.35905	0.28200	0.73140
4	0.89095	0.78200	0.01860
(1/2,0,1/2) + set click here to show and hide
5	0.85905	0.28200	0.51860
6	0.39095	0.78200	0.23140
7	0.85905	0.28200	0.23140
8	0.39095	0.78200	0.51860
(0,0,1/2)' + set click here to show and hide
9	0.35905	0.28200	0.51860
10	0.89095	0.78200	0.23140
11	0.35905	0.28200	0.23140
12	0.89095	0.78200	0.51860
(1/2,0,0)' + set click here to show and hide
13	0.85905	0.28200	0.01860
14	0.39095	0.78200	0.73140
15	0.85905	0.28200	0.73140
16	0.39095	0.78200	0.01860

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

Atom	x	y	z
1	0.10905	0.21800	0.48140
2	0.14095	0.71800	0.26860
3	0.10905	0.21800	0.26860
4	0.14095	0.71800	0.48140
(1/2,0,1/2) + set click here to show and hide
5	0.60905	0.21800	0.98140
6	0.64095	0.71800	0.76860
7	0.60905	0.21800	0.76860
8	0.64095	0.71800	0.98140
(0,0,1/2)' + set click here to show and hide
9	0.10905	0.21800	0.98140
10	0.14095	0.71800	0.76860
11	0.10905	0.21800	0.76860
12	0.14095	0.71800	0.98140
(1/2,0,0)' + set click here to show and hide
13	0.60905	0.21800	0.48140
14	0.64095	0.71800	0.26860
15	0.60905	0.21800	0.26860
16	0.64095	0.71800	0.48140

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Pr1_1	Pr	0.49695	0.03290	0.12500	8	m_x,m_y,0	0.0	0.00
Pr1_2	Pr	0.24695	0.4671	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	0.93(1)	0.93

[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 Pr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49695	0.03290	0.12500	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.75305	0.53290	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	0.99695	0.03290	0.62500	m_x,m_y,0	0.00000	0.00000	0.00000
4	0.25305	0.53290	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	0.49695	0.03290	0.62500	-m_x,-m_y,0	0.00000	0.00000	0.00000
6	0.75305	0.53290	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	0.99695	0.03290	0.12500	-m_x,-m_y,0	0.00000	0.00000	0.00000
8	0.25305	0.53290	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 Pr1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24695	0.46710	0.37500	0,0,m_z	0.00000	0.00000	0.00000
2	0.00305	0.96710	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	0.74695	0.46710	0.87500	0,0,m_z	0.00000	0.00000	0.00000
4	0.50305	0.96710	0.87500	0,0,-m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.24695	0.46710	0.87500	0,0,-m_z	0.00000	0.00000	0.00000
6	0.00305	0.96710	0.87500	0,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.74695	0.46710	0.37500	0,0,-m_z	0.00000	0.00000	0.00000
8	0.50305	0.96710	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	0.93000	0.00000	0.00000
2	0.00000	0.50000	0.75000	-m_x,m_y,-m_z	-0.93000	0.00000	0.00000
3	0.25000	0.00000	0.75000	-m_x,-m_y,m_z	-0.93000	0.00000	0.00000
4	0.00000	0.50000	0.00000	m_x,-m_y,-m_z	0.93000	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	0.93000	0.00000	0.00000
6	0.50000	0.50000	0.25000	-m_x,m_y,-m_z	-0.93000	0.00000	0.00000
7	0.75000	0.00000	0.25000	-m_x,-m_y,m_z	-0.93000	0.00000	0.00000
8	0.50000	0.50000	0.50000	m_x,-m_y,-m_z	0.93000	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	-0.93000	0.00000	0.00000
10	0.00000	0.50000	0.25000	m_x,-m_y,m_z	0.93000	0.00000	0.00000
11	0.25000	0.00000	0.25000	m_x,m_y,-m_z	0.93000	0.00000	0.00000
12	0.00000	0.50000	0.50000	-m_x,m_y,m_z	-0.93000	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	-0.93000	0.00000	0.00000
14	0.50000	0.50000	0.75000	m_x,-m_y,m_z	0.93000	0.00000	0.00000
15	0.75000	0.00000	0.75000	m_x,m_y,-m_z	0.93000	0.00000	0.00000
16	0.50000	0.50000	0.00000	-m_x,m_y,m_z	-0.93000	0.00000	0.00000

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label	dim. full irrep	dim. small irrep	direction	action
mT2	2	2	special	primary

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

PrNiO₃ (#1.43)

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

PrNiO3 (#1.43)

PrNiO₃ (#1.43)