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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	1.	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.00000	0.50000	0.25000	4
F1	F	0.00000	0.00000	0.25000	4
F2	F	0.2257	0.2743	0.00000	8

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	1.00000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.00000
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3	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	1.00000
4	0.50000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-1.00000

Atom	x	y	z
1	0.00000	0.50000	0.25000
2	0.50000	0.00000	0.25000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000
4	0.00000	0.50000	0.75000

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.75000
4	0.50000	0.50000	0.25000

Atom	x	y	z
1	0.22570	0.27430	0.00000
2	0.72570	0.22570	0.00000
3	0.27430	0.77430	0.00000
4	0.77430	0.72570	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.72570	0.77430	0.50000
6	0.22570	0.72570	0.50000
7	0.77430	0.27430	0.50000
8	0.27430	0.22570	0.50000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	1.	1.00

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	1.00000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	1.00000
4	0.50000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-1.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	1

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