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,x-y,z,-1	{ m'₀₁₀ \| 0 }
3	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
4	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
5	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
6	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
7	-x,-y,-z,+1	{ -1 \| 0 }
8	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
9	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
10	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
11	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
12	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	x,x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
15	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
16	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
17	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
18	x-y,x,-z+1/2,-1	{ -3'^-₀₀₁ \| 0 0 1/2 }
19	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
20	-x,-x+y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
21	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
22	x-y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
23	y,-x+y,-z+1/2,-1	{ -3'⁺₀₀₁ \| 0 0 1/2 }
24	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }

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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
5	-y,x-y,z,+1	3⁺₀₀₁
6	x-y,x,-z,+1	-3^-₀₀₁
7	-x,-y,-z,+1	-1
11	y,-x+y,-z,+1	-3⁺₀₀₁
12	-x+y,-x,z,+1	3^-₀₀₁
14	x,x-y,z,+1	m₀₁₀
15	-y,-x,z,+1	m₁₁₀
16	-x+y,y,z,+1	m₁₀₀
20	-x,-x+y,-z,+1	2₀₁₀
21	y,x,-z,+1	2₁₁₀
22	x-y,-y,-z,+1	2₁₀₀
1' + set click here to show and hide
13	x,y,z,-1	1'
14	-y,x-y,z,-1	3'⁺₀₀₁
15	x-y,x,-z,-1	-3'^-₀₀₁
16	-x,-y,-z,-1	-1'
17	y,-x+y,-z,-1	-3'⁺₀₀₁
18	-x+y,-x,z,-1	3'^-₀₀₁
19	x,x-y,z,-1	m'₀₁₀
20	-y,-x,z,-1	m'₁₁₀
21	-x+y,y,z,-1	m'₁₀₀
22	-x,-x+y,-z,-1	2'₀₁₀
23	y,x,-z,-1	2'₁₁₀
24	x-y,-y,-z,-1	2'₁₀₀

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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	2	0,0,M_z	0.0	0.0	3.09(2)	3.09

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.00000	0.00000	0.25000	2
Te1	Te	0.33333	0.66667	0.11499	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.09000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-3.09000

Atom	x	y	z
1	0.00000	0.00000	0.25000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.75000

Atom	x	y	z
1	0.33333	0.66667	0.11499
2	0.66666	0.33333	0.88501
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.61499
4	0.66666	0.33333	0.38501

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	2	0,0,M_z	0.0	0.0	3.09(2)	3.09

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.09000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-3.09000

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA2+	1	1	special	primary	1

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