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+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
3	y+1/4,-x+3/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 1/4 3/4 3/4 }
4	-y+3/4,x+3/4,-z+3/4,+1	{ -4^-₀₀₁ \| 3/4 3/4 3/4 }
5	-y+3/4,x+1/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 3/4 1/4 1/4 }
6	y+1/4,-x+1/4,z+1/4,-1	{ 4'^-₀₀₁ \| 1/4 1/4 1/4 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
11	y+3/4,-x+1/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 3/4 1/4 1/4 }
12	-y+1/4,x+1/4,-z+1/4,+1	{ -4^-₀₀₁ \| 1/4 1/4 1/4 }
13	-y+1/4,x+3/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 1/4 3/4 3/4 }
14	y+3/4,-x+3/4,z+3/4,-1	{ 4'^-₀₀₁ \| 3/4 3/4 3/4 }
15	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
16	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 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:

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.25000	0.12500	4	0,0,m_z	0.0	0.0	0.57(7)	0.57

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.00000	0.25000	0.62500	4
O1	O	0.11130	0.01620	0.19920	16

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.12500	0,0,m_z	0.00000	0.00000	0.57000
2	0.50000	0.25000	0.37500	0,0,-m_z	0.00000	0.00000	-0.57000
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3	0.50000	0.75000	0.62500	0,0,m_z	0.00000	0.00000	0.57000
4	0.00000	0.75000	0.87500	0,0,-m_z	0.00000	0.00000	-0.57000

Atom	x	y	z
1	0.00000	0.25000	0.62500
2	0.50000	0.25000	0.87500
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.12500
4	0.00000	0.75000	0.37500

Atom	x	y	z
1	0.11130	0.01620	0.19920
2	0.88870	0.48380	0.19920
3	0.26620	0.63870	0.55080
4	0.73380	0.86130	0.55080
5	0.73380	0.36130	0.44920
6	0.26620	0.13870	0.44920
7	0.88870	0.98380	0.80080
8	0.11130	0.51620	0.80080
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9	0.61130	0.51620	0.69920
10	0.38870	0.98380	0.69920
11	0.76620	0.13870	0.05080
12	0.23380	0.36130	0.05080
13	0.23380	0.86130	0.94920
14	0.76620	0.63870	0.94920
15	0.38870	0.48380	0.30080
16	0.61130	0.01620	0.30080

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.25000	0.12500	4	0,0,m_z	0.0	0.0	0.57(7)	0.57

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.12500	0,0,m_z	0.00000	0.00000	0.57000
2	0.50000	0.25000	0.37500	0,0,-m_z	0.00000	0.00000	-0.57000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.62500	0,0,m_z	0.00000	0.00000	0.57000
4	0.00000	0.75000	0.87500	0,0,-m_z	0.00000	0.00000	-0.57000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	1

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