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,-y,-z,-1	{ -1' \| 0 }
3	y,-x,z,-1	{ 4'^-₀₀₁ \| 0 }
4	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
5	-y,-x,z,+1	{ m₁₁₀ \| 0 }
6	-x,y,z,-1	{ m'₁₀₀ \| 0 }
7	y,x,z,+1	{ m_1-10 \| 0 }
8	x,-y,z,-1	{ m'₀₁₀ \| 0 }
9	x,y,-z,-1	{ m'₀₀₁ \| 0 }
10	-y,x,z,-1	{ 4'⁺₀₀₁ \| 0 }
11	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
12	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
13	x,-y,-z,+1	{ 2₁₀₀ \| 0 }
14	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
15	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
16	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
19	y,-x,z+1/2,+1	{ 4^-₀₀₁ \| 0 0 1/2 }
20	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
21	-y,-x,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
22	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
23	y,x,z+1/2,-1	{ m'_1-10 \| 0 0 1/2 }
24	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
25	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
26	-y,x,z+1/2,+1	{ 4⁺₀₀₁ \| 0 0 1/2 }
27	-y,-x,-z+1/2,+1	{ 2_1-10 \| 0 0 1/2 }
28	y,-x,-z+1/2,-1	{ -4'⁺₀₀₁ \| 0 0 1/2 }
29	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
30	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
31	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
32	-y,x,-z+1/2,-1	{ -4'^-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,z,+1	m₁₁₀
7	y,x,z,+1	m_1-10
12	y,-x,-z,+1	-4⁺₀₀₁
13	x,-y,-z,+1	2₁₀₀
14	-x,y,-z,+1	2₀₁₀
15	-x,-y,z,+1	2₀₀₁
16	-y,x,-z,+1	-4^-₀₀₁
18	-x,-y,-z,+1	-1
19	y,-x,z,+1	4^-₀₀₁
20	y,x,-z,+1	2₁₁₀
22	-x,y,z,+1	m₁₀₀
24	x,-y,z,+1	m₀₁₀
25	x,y,-z,+1	m₀₀₁
26	-y,x,z,+1	4⁺₀₀₁
27	-y,-x,-z,+1	2_1-10
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,-x,z,-1	m'₁₁₀
19	y,x,z,-1	m'_1-10
20	y,-x,-z,-1	-4'⁺₀₀₁
21	x,-y,-z,-1	2'₁₀₀
22	-x,y,-z,-1	2'₀₁₀
23	-x,-y,z,-1	2'₀₀₁
24	-y,x,-z,-1	-4'^-₀₀₁
25	-x,-y,-z,-1	-1'
26	y,-x,z,-1	4'^-₀₀₁
27	y,x,-z,-1	2'₁₁₀
28	-x,y,z,-1	m'₁₀₀
29	x,-y,z,-1	m'₀₁₀
30	x,y,-z,-1	m'₀₀₁
31	-y,x,z,-1	4'⁺₀₀₁
32	-y,-x,-z,-1	2'_1-10

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.00000	0.50000	0.25000	1	4	0,0,m_z	0.0	0.0	1.425(13)	1.43

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Te1	Te	0.50000	0.50000	0.13539		4
O1	O	0.00000	0.00000	0.25000	1	2
Rb1	Rb	0.00000	0.00000	0.00000	0.85	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	0,0,m_z	0.00000	0.00000	1.42500
2	0.50000	0.00000	0.25000	0,0,-m_z	0.00000	0.00000	-1.42500
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.75000	0,0,-m_z	0.00000	0.00000	-1.42500
4	0.50000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	1.42500

Atom	x	y	z
1	0.50000	0.50000	0.13539
2	0.50000	0.50000	0.86461
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.63539
4	0.50000	0.50000	0.36461

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	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.00000	0.50000	0.25000	4	0,0,m_z	0.0	0.0	1.425(13)	1.43

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	0,0,m_z	0.00000	0.00000	1.42500
2	0.50000	0.00000	0.25000	0,0,-m_z	0.00000	0.00000	-1.42500
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.75000	0,0,-m_z	0.00000	0.00000	-1.42500
4	0.50000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	1.42500

label	dim. small irrep	dim. full irrep	action	number of modes
mZ2-	1	1	primary	1

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