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	0.03750	0.00000	4	m_x,0,m_z	0.6	0.0	2.8	2.84
Cr2	Cr	0.00000	0.54270	0.00000	4	m_x,0,m_z	0.6	0.0	2.8	2.84

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.2946	0.2738	0.08205	8
S1	S	0.1430	0.0000	0.34680	8
S2	S	0.1279	0.5304	0.35125	8
S3	S	0.1042	0.2845	0.09775	8
S4	S	0.1271	0.7612	0.07680	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	0.03750	0.00000	m_x,0,m_z	0.60000	0.00000	2.80000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.53750	0.00000	m_x,0,m_z	0.60000	0.00000	2.80000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.03750	0.50000	-m_x,0,-m_z	-0.60000	0.00000	-2.80000
(1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.53750	0.50000	-m_x,0,-m_z	-0.60000	0.00000	-2.80000

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	0.54270	0.00000	m_x,0,m_z	0.60000	0.00000	2.80000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.04270	0.00000	m_x,0,m_z	0.60000	0.00000	2.80000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.54270	0.50000	-m_x,0,-m_z	-0.60000	0.00000	-2.80000
(1/2,1/2,1/2)' + set click here to show and hide
4	0.50000	0.04270	0.50000	-m_x,0,-m_z	-0.60000	0.00000	-2.80000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.29460	0.27380	0.08205
2	0.70540	0.27380	0.41795
(1/2,1/2,0) + set click here to show and hide
3	0.79460	0.77380	0.08205
4	0.20540	0.77380	0.41795
(0,0,1/2)' + set click here to show and hide
5	0.29460	0.27380	0.58205
6	0.70540	0.27380	0.91795
(1/2,1/2,1/2)' + set click here to show and hide
7	0.79460	0.77380	0.58205
8	0.20540	0.77380	0.91795

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

Atom	x	y	z
1	0.14300	0.00000	0.34680
2	0.85700	0.00000	0.15320
(1/2,1/2,0) + set click here to show and hide
3	0.64300	0.50000	0.34680
4	0.35700	0.50000	0.15320
(0,0,1/2)' + set click here to show and hide
5	0.14300	0.00000	0.84680
6	0.85700	0.00000	0.65320
(1/2,1/2,1/2)' + set click here to show and hide
7	0.64300	0.50000	0.84680
8	0.35700	0.50000	0.65320

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

Atom	x	y	z
1	0.12790	0.53040	0.35125
2	0.87210	0.53040	0.14875
(1/2,1/2,0) + set click here to show and hide
3	0.62790	0.03040	0.35125
4	0.37210	0.03040	0.14875
(0,0,1/2)' + set click here to show and hide
5	0.12790	0.53040	0.85125
6	0.87210	0.53040	0.64875
(1/2,1/2,1/2)' + set click here to show and hide
7	0.62790	0.03040	0.85125
8	0.37210	0.03040	0.64875

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

Atom	x	y	z
1	0.10420	0.28450	0.09775
2	0.89580	0.28450	0.40225
(1/2,1/2,0) + set click here to show and hide
3	0.60420	0.78450	0.09775
4	0.39580	0.78450	0.40225
(0,0,1/2)' + set click here to show and hide
5	0.10420	0.28450	0.59775
6	0.89580	0.28450	0.90225
(1/2,1/2,1/2)' + set click here to show and hide
7	0.60420	0.78450	0.59775
8	0.39580	0.78450	0.90225

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

Atom	x	y	z
1	0.12710	0.76120	0.07680
2	0.87290	0.76120	0.42320
(1/2,1/2,0) + set click here to show and hide
3	0.62710	0.26120	0.07680
4	0.37290	0.26120	0.42320
(0,0,1/2)' + set click here to show and hide
5	0.12710	0.76120	0.57680
6	0.87290	0.76120	0.92320
(1/2,1/2,1/2)' + set click here to show and hide
7	0.62710	0.26120	0.57680
8	0.37290	0.26120	0.92320

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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	0.03750	0.00000	4	m_x,0,m_z	0.6	0.0	2.8	2.84
Cr2	Cr	0.00000	0.54270	0.00000	4	m_x,0,m_z	0.6	0.0	2.8	2.84

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