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	-y+1/2,x,z,+1	{ 4⁺₀₀₁ \| 1/2 0 0 }
3	y,-x+1/2,z,+1	{ 4^-₀₀₁ \| 0 1/2 0 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
6	y,x+1/2,z,+1	{ m_1-10 \| 0 1/2 0 }
7	x,-y,z,+1	{ m₀₁₀ \| 0 }
8	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-y,x+1/2,z,+1	{ 4⁺₀₀₁ \| 0 1/2 0 }
11	y+1/2,-x,z,+1	{ 4^-₀₀₁ \| 1/2 0 0 }
12	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
13	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
14	y+1/2,x,z,+1	{ m_1-10 \| 1/2 0 0 }
15	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
16	-x,y,z,+1	{ m₁₀₀ \| 0 }
(0,1/2,0)' + set click here to show and hide
17	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
18	-y+1/2,x+1/2,z,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 0 }
19	y,-x,z,-1	{ 4'^-₀₀₁ \| 0 }
20	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
21	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
22	y,x,z,-1	{ m'_1-10 \| 0 }
23	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
24	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 0 }
(1/2,0,0)' + set click here to show and hide
25	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
26	-y,x,z,-1	{ 4'⁺₀₀₁ \| 0 }
27	y+1/2,-x+1/2,z,-1	{ 4'^-₀₀₁ \| 1/2 1/2 0 }
28	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
29	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
30	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
31	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }
32	-x,y+1/2,z,-1	{ m'₁₀₀ \| 0 1/2 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	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-y,-x,z,+1	m₁₁₀
6	y,x,z,+1	m_1-10
7	x,-y,z,+1	m₀₁₀
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-y,x,z,-1	4'⁺₀₀₁
11	y,-x,z,-1	4'^-₀₀₁
12	-x,-y,z,-1	2'₀₀₁
13	-y,-x,z,-1	m'₁₁₀
14	y,x,z,-1	m'_1-10
15	x,-y,z,-1	m'₀₁₀
16	-x,y,z,-1	m'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\|
Co1	Co	0.25000	0.25000	0.5663	4	0,0,m_z	0.0	0.0	1.99(2)	1.99

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Bi1	Bi	0.00000	0.00000	0.00000	4
O1	O	0.25000	0.25000	0.2064	4
O2	O	0.25000	0.00000	0.7311	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.56630	0,0,m_z	0.00000	0.00000	1.99000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.56630	0,0,m_z	0.00000	0.00000	1.99000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.56630	0,0,-m_z	0.00000	0.00000	-1.99000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.25000	0.56630	0,0,-m_z	0.00000	0.00000	-1.99000

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

Atom	x	y	z
1	0.25000	0.25000	0.20640
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.20640
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.20640
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.25000	0.20640

Atom	x	y	z
1	0.25000	0.00000	0.73110
2	0.50000	0.25000	0.73110
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.50000	0.73110
4	0.00000	0.75000	0.73110
(0,1/2,0)' + set click here to show and hide
5	0.25000	0.50000	0.73110
6	0.50000	0.75000	0.73110
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.73110
8	0.00000	0.25000	0.73110

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.25000	0.25000	0.5663	4	0,0,m_z	0.0	0.0	1.99(2)	1.99

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.56630	0,0,m_z	0.00000	0.00000	1.99000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.56630	0,0,m_z	0.00000	0.00000	1.99000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.56630	0,0,-m_z	0.00000	0.00000	-1.99000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.25000	0.56630	0,0,-m_z	0.00000	0.00000	-1.99000

label	dim. small irrep	dim. full irrep	action	number of modes
mM2	1	1	primary	1

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