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:

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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\|
Nd1	Nd	0.01700	0.34180	0.00000	1.	12	m_x,m_y,m_z	-0.42	-0.21	2.07	2.10
Nd2	Nd	0.41290	0.58710	0.72500	1.	6	m_x,-m_x,m_z	0.6	-0.6	1.7	1.99
Nd3	Nd	0.25410	0.74590	0.27400	1.	6	m_x,-m_x,m_z	1.18	-1.18	2.2	3.00
Nd4	Nd	0.07890	0.92110	0.72300	1.	6	m_x,-m_x,m_z	0.11	-0.11	1.9	1.91

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ge1	Ge	0.13310	0.86690	0.26900	1.	6
Ge2	Ge	0.46770	0.53230	0.25900	1.	6
Ge3	Ge	0.20010	0.79990	0.70900	1.	6
C1	C	0.33333	0.66667	0.50000	0.29	2
C2	C	0.00000	0.00000	0.51000	0.1	2

Atom	x	y	z
1	0.33333	0.66667	0.50000
2	0.66666	0.33333	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.51000
2	0.00000	0.00000	0.01000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.01700	0.34180	0.00000	12	m_x,m_y,m_z	-0.42	-0.21	2.07	2.10
Nd2	Nd	0.41290	0.58710	0.72500	6	m_x,-m_x,m_z	0.6	-0.6	1.7	1.99
Nd3	Nd	0.25410	0.74590	0.27400	6	m_x,-m_x,m_z	1.18	-1.18	2.2	3.00
Nd4	Nd	0.07890	0.92110	0.72300	6	m_x,-m_x,m_z	0.11	-0.11	1.9	1.91

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01700	0.34180	0.00000	m_x,m_y,m_z	-0.42000	-0.21000	2.07000
2	0.67520	0.01700	0.50000	m_x-m_y,m_x,m_z	-0.21000	-0.42000	2.07000
3	0.65820	0.67520	0.00000	-m_y,m_x-m_y,m_z	0.21000	-0.21000	2.07000
4	0.98300	0.65820	0.50000	-m_x,-m_y,m_z	0.42000	0.21000	2.07000
5	0.32480	0.98300	0.00000	-m_x+m_y,-m_x,m_z	0.21000	0.42000	2.07000
6	0.34180	0.32480	0.50000	m_y,-m_x+m_y,m_z	-0.21000	0.21000	2.07000
7	0.32480	0.34180	0.00000	-m_x+m_y,m_y,m_z	0.21000	-0.21000	2.07000
8	0.65820	0.98300	0.00000	-m_y,-m_x,m_z	0.21000	0.42000	2.07000
9	0.01700	0.67520	0.00000	m_x,m_x-m_y,m_z	-0.42000	-0.21000	2.07000
10	0.98300	0.32480	0.50000	-m_x,-m_x+m_y,m_z	0.42000	0.21000	2.07000
11	0.67520	0.65820	0.50000	m_x-m_y,-m_y,m_z	-0.21000	0.21000	2.07000
12	0.34180	0.01700	0.50000	m_y,m_x,m_z	-0.21000	-0.42000	2.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.41290	0.58710	0.72500	m_x,-m_x,m_z	0.60000	-0.60000	1.70000
2	0.82580	0.41290	0.22500	2m_x,m_x,m_z	1.20000	0.60000	1.70000
3	0.41290	0.82580	0.72500	m_x,2m_x,m_z	0.60000	1.20000	1.70000
4	0.58710	0.41290	0.22500	-m_x,m_x,m_z	-0.60000	0.60000	1.70000
5	0.17420	0.58710	0.72500	-2m_x,-m_x,m_z	-1.20000	-0.60000	1.70000
6	0.58710	0.17420	0.22500	-m_x,-2m_x,m_z	-0.60000	-1.20000	1.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25410	0.74590	0.27400	m_x,-m_x,m_z	1.18000	-1.18000	2.20000
2	0.50820	0.25410	0.77400	2m_x,m_x,m_z	2.36000	1.18000	2.20000
3	0.25410	0.50820	0.27400	m_x,2m_x,m_z	1.18000	2.36000	2.20000
4	0.74590	0.25410	0.77400	-m_x,m_x,m_z	-1.18000	1.18000	2.20000
5	0.49180	0.74590	0.27400	-2m_x,-m_x,m_z	-2.36000	-1.18000	2.20000
6	0.74590	0.49180	0.77400	-m_x,-2m_x,m_z	-1.18000	-2.36000	2.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.07890	0.92110	0.72300	m_x,-m_x,m_z	0.11000	-0.11000	1.90000
2	0.15780	0.07890	0.22300	2m_x,m_x,m_z	0.22000	0.11000	1.90000
3	0.07890	0.15780	0.72300	m_x,2m_x,m_z	0.11000	0.22000	1.90000
4	0.92110	0.07890	0.22300	-m_x,m_x,m_z	-0.11000	0.11000	1.90000
5	0.84220	0.92110	0.72300	-2m_x,-m_x,m_z	-0.22000	-0.11000	1.90000
6	0.92110	0.84220	0.22300	-m_x,-2m_x,m_z	-0.11000	-0.22000	1.90000

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label	dim. small irrep	dim. full irrep	action	number of modes
mGM2	1	1	primary	9

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