MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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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+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 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+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,y,-z,-1	2'₀₁₀
8	-x,-y,z,-1	2'₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.26195	4	m_x,m_y,0	0.59(4)	3.54(3)	0.0	3.59

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Te1	Te	0.00000	0.50000	0.12700	4
Mo1	Mo	0.00000	0.50000	0.40450	4
O1	O	0.29600	0.84700	0.03650	8
O2	O	0.18500	0.76100	0.35100	8
O3	O	0.17900	0.72000	0.19600	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.26195	m_x,m_y,0	0.59000	3.54000	0.00000
2	0.50000	0.50000	0.23805	m_x,-m_y,0	0.59000	-3.54000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.76195	-m_x,-m_y,0	-0.59000	-3.54000	0.00000
4	0.50000	0.50000	0.73805	-m_x,m_y,0	-0.59000	3.54000	0.00000

Atom	x	y	z
1	0.00000	0.50000	0.12700
2	0.50000	0.00000	0.37300
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.62700
4	0.50000	0.00000	0.87300

Atom	x	y	z
1	0.00000	0.50000	0.40450
2	0.50000	0.00000	0.09550
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.90450
4	0.50000	0.00000	0.59550

Atom	x	y	z
1	0.29600	0.84700	0.03650
2	0.79600	0.65300	0.46350
3	0.20400	0.34700	0.96350
4	0.70400	0.15300	0.53650
(0,0,1/2)' + set click here to show and hide
5	0.29600	0.84700	0.53650
6	0.79600	0.65300	0.96350
7	0.20400	0.34700	0.46350
8	0.70400	0.15300	0.03650

Atom	x	y	z
1	0.18500	0.76100	0.35100
2	0.68500	0.73900	0.14900
3	0.31500	0.26100	0.64900
4	0.81500	0.23900	0.85100
(0,0,1/2)' + set click here to show and hide
5	0.18500	0.76100	0.85100
6	0.68500	0.73900	0.64900
7	0.31500	0.26100	0.14900
8	0.81500	0.23900	0.35100

Atom	x	y	z
1	0.17900	0.72000	0.19600
2	0.67900	0.78000	0.30400
3	0.32100	0.22000	0.80400
4	0.82100	0.28000	0.69600
(0,0,1/2)' + set click here to show and hide
5	0.17900	0.72000	0.69600
6	0.67900	0.78000	0.80400
7	0.32100	0.22000	0.30400
8	0.82100	0.28000	0.19600

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.26195	4	m_x,m_y,0	0.59(4)	3.54(3)	0.0	3.59

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.26195	m_x,m_y,0	0.59000	3.54000	0.00000
2	0.50000	0.50000	0.23805	m_x,-m_y,0	0.59000	-3.54000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.76195	-m_x,-m_y,0	-0.59000	-3.54000	0.00000
4	0.50000	0.50000	0.73805	-m_x,m_y,0	-0.59000	3.54000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mZ4	1	1	primary	2

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