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	{ 2₁₀₀ \| 0 }
3	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
4	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
5	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
6	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	-x,y,z,-1	{ m'₁₀₀ \| 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	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
11	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
12	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 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	{ -1' \| 1/2 1/2 0 }
16	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 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\|
Tb1	Tb	0.00000	0.10680	0.25000	1.	4	0,0,m_z	0.0	0.0	5.60(3)	5.60

Non-magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity
Ni1	Ni	0.31970	0.25000	0.4	4
Ge1	Ge	0.46010	0.25000	1.	4
Ge2	Ge	0.75070	0.25000	1.	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.10680	0.25000	0,0,m_z	0.00000	0.00000	5.60000
2	0.00000	0.89320	0.75000	0,0,-m_z	0.00000	0.00000	-5.60000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.60680	0.25000	0,0,m_z	0.00000	0.00000	5.60000
4	0.50000	0.39320	0.75000	0,0,-m_z	0.00000	0.00000	-5.60000

Atom	x	y	z
1	0.00000	0.31970	0.25000
2	0.00000	0.68030	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.81970	0.25000
4	0.50000	0.18030	0.75000

Atom	x	y	z
1	0.00000	0.46010	0.25000
2	0.00000	0.53990	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.96010	0.25000
4	0.50000	0.03990	0.75000

Atom	x	y	z
1	0.00000	0.75070	0.25000
2	0.00000	0.24930	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.25070	0.25000
4	0.50000	0.74930	0.75000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.00000	0.10680	0.25000	4	0,0,m_z	0.0	0.0	5.60(3)	5.60

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.10680	0.25000	0,0,m_z	0.00000	0.00000	5.60000
2	0.00000	0.89320	0.75000	0,0,-m_z	0.00000	0.00000	-5.60000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.60680	0.25000	0,0,m_z	0.00000	0.00000	5.60000
4	0.50000	0.39320	0.75000	0,0,-m_z	0.00000	0.00000	-5.60000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3-	1	1	primary	1

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