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	{ m'₀₀₁ \| 0 }
3	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
4	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
8	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
(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+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }
11	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
12	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
13	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
14	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
15	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
16	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.1942(3)	0.6942(3)	0		8	m_x,m_y,0	1.82(8)	0.32(9)	0.0	1.85
Mn2	Mn	0	0	0.25	1	4	m_x,0,0	-2.3(2)	0.0	0.0	2.30

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ge1	Ge	0	0.5	0.25	1	4
N1	N	0	0	0	0.992	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.19420	0.69420	0.00000	m_x,m_y,0	1.82000	0.32000	0.00000
2	0.80580	0.69420	0.50000	m_x,-m_y,0	1.82000	-0.32000	0.00000
3	0.19420	0.30580	0.50000	m_x,-m_y,0	1.82000	-0.32000	0.00000
4	0.80580	0.30580	0.00000	m_x,m_y,0	1.82000	0.32000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.69420	0.19420	0.50000	m_x,m_y,0	1.82000	0.32000	0.00000
6	0.30580	0.19420	0.00000	m_x,-m_y,0	1.82000	-0.32000	0.00000
7	0.69420	0.80580	0.00000	m_x,-m_y,0	1.82000	-0.32000	0.00000
8	0.30580	0.80580	0.50000	m_x,m_y,0	1.82000	0.32000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,0,0	-2.30000	0.00000	0.00000
2	0.00000	0.00000	0.75000	m_x,0,0	-2.30000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.75000	m_x,0,0	-2.30000	0.00000	0.00000
4	0.50000	0.50000	0.25000	m_x,0,0	-2.30000	0.00000	0.00000

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

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

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.1942(3)	0.6942(3)	0		8	m_x,m_y,0	1.82(8)	0.32(9)	0.0	1.85
Mn2	Mn	0	0	0.25	1	4	m_x,0,0	-2.3(2)	0.0	0.0	2.30

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.19420	0.69420	0.00000	m_x,m_y,0	1.82000	0.32000	0.00000
2	0.80580	0.69420	0.50000	m_x,-m_y,0	1.82000	-0.32000	0.00000
3	0.19420	0.30580	0.50000	m_x,-m_y,0	1.82000	-0.32000	0.00000
4	0.80580	0.30580	0.00000	m_x,m_y,0	1.82000	0.32000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.69420	0.19420	0.50000	m_x,m_y,0	1.82000	0.32000	0.00000
6	0.30580	0.19420	0.00000	m_x,-m_y,0	1.82000	-0.32000	0.00000
7	0.69420	0.80580	0.00000	m_x,-m_y,0	1.82000	-0.32000	0.00000
8	0.30580	0.80580	0.50000	m_x,m_y,0	1.82000	0.32000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,0,0	-2.30000	0.00000	0.00000
2	0.00000	0.00000	0.75000	m_x,0,0	-2.30000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.75000	m_x,0,0	-2.30000	0.00000	0.00000
4	0.50000	0.50000	0.25000	m_x,0,0	-2.30000	0.00000	0.00000

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5+	2	2	special	primary	3

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