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,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
(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+1/2,+1	{ 2₀₁₀ \| 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	{ 2'₀₁₀ \| 0 }
(1/2,1/2,1/2)' + set click here to show and hide
7	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
8	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 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
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.00000	0.00000	4	m_x,0,m_z	0.48(9)	0.0	2.84(3)	2.86
Cr2	Cr	0.00000	0.50950	0.00000	4	m_x,0,m_z	0.48(9)	0.0	2.84(3)	2.86

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.29710	0.25880	0.08275	8
S1	S	0.13350	0.99160	0.35035	8
S2	S	0.13470	0.52480	0.34965	8
S3	S	0.10620	0.25940	0.09670	8
S4	S	0.13030	0.75750	0.07260	8

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 Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	0.48000	0.00000	2.84000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	m_x,0,m_z	0.48000	0.00000	2.84000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,0,-m_z	-0.48000	0.00000	-2.84000
(1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.50000	0.50000	-m_x,0,-m_z	-0.48000	0.00000	-2.84000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50950	0.00000	m_x,0,m_z	0.48000	0.00000	2.84000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.00950	0.00000	m_x,0,m_z	0.48000	0.00000	2.84000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50950	0.50000	-m_x,0,-m_z	-0.48000	0.00000	-2.84000
(1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.00950	0.50000	-m_x,0,-m_z	-0.48000	0.00000	-2.84000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.29710	0.25880	0.08275
2	0.70290	0.25880	0.41725
(1/2,1/2,0) + set click here to show and hide
3	0.79710	0.75880	0.08275
4	0.20290	0.75880	0.41725
(0,0,1/2)' + set click here to show and hide
5	0.29710	0.25880	0.58275
6	0.70290	0.25880	0.91725
(1/2,1/2,1/2)' + set click here to show and hide
7	0.79710	0.75880	0.58275
8	0.20290	0.75880	0.91725

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.13350	0.99160	0.35035
2	0.86650	0.99160	0.14965
(1/2,1/2,0) + set click here to show and hide
3	0.63350	0.49160	0.35035
4	0.36650	0.49160	0.14965
(0,0,1/2)' + set click here to show and hide
5	0.13350	0.99160	0.85035
6	0.86650	0.99160	0.64965
(1/2,1/2,1/2)' + set click here to show and hide
7	0.63350	0.49160	0.85035
8	0.36650	0.49160	0.64965

Set of atoms in the unit cell related by symmetry with the atom S2:

Atom	x	y	z
1	0.13470	0.52480	0.34965
2	0.86530	0.52480	0.15035
(1/2,1/2,0) + set click here to show and hide
3	0.63470	0.02480	0.34965
4	0.36530	0.02480	0.15035
(0,0,1/2)' + set click here to show and hide
5	0.13470	0.52480	0.84965
6	0.86530	0.52480	0.65035
(1/2,1/2,1/2)' + set click here to show and hide
7	0.63470	0.02480	0.84965
8	0.36530	0.02480	0.65035

Set of atoms in the unit cell related by symmetry with the atom S3:

Atom	x	y	z
1	0.10620	0.25940	0.09670
2	0.89380	0.25940	0.40330
(1/2,1/2,0) + set click here to show and hide
3	0.60620	0.75940	0.09670
4	0.39380	0.75940	0.40330
(0,0,1/2)' + set click here to show and hide
5	0.10620	0.25940	0.59670
6	0.89380	0.25940	0.90330
(1/2,1/2,1/2)' + set click here to show and hide
7	0.60620	0.75940	0.59670
8	0.39380	0.75940	0.90330

Set of atoms in the unit cell related by symmetry with the atom S4:

Atom	x	y	z
1	0.13030	0.75750	0.07260
2	0.86970	0.75750	0.42740
(1/2,1/2,0) + set click here to show and hide
3	0.63030	0.25750	0.07260
4	0.36970	0.25750	0.42740
(0,0,1/2)' + set click here to show and hide
5	0.13030	0.75750	0.57260
6	0.86970	0.75750	0.92740
(1/2,1/2,1/2)' + set click here to show and hide
7	0.63030	0.25750	0.57260
8	0.36970	0.25750	0.92740

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.00000	0.00000	4	m_x,0,m_z	0.48(9)	0.0	2.84(3)	2.86
Cr2	Cr	0.00000	0.50950	0.00000	4	m_x,0,m_z	0.48(9)	0.0	2.84(3)	2.86

label	dim. small irrep	dim. full irrep	action	number of modes
mA2	1	1	primary	4

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