MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

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Symmetry operations of the magnetic space 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\|
Ni1	Ni	0.00000	0.00000	0.50000	2	m_x,m_y,m_z	-0.79(14)	0.81(16)	-1.75(2)	2.01
Ni2	Ni	0.50000	0.00000	0.50000	2	m_x,m_y,m_z	-0.61(14)	-0.57(16)	1.75(2)	2.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
N1	N	0.52757	0.58702	0.30643	4
N2	N	0.07364	0.44216	0.72607	4
N3	N	0.33937	0.50945	0.03778	4
C1	C	0.07655	0.40691	0.53238	4
C2	C	0.50901	0.61947	0.49252	4
C3	C	0.26070	0.54987	0.08448	4
Cs1	Cs	0.71736	0.72810	0.15479	4
S1	S	0.15293	0.61098	0.14685	4
S2	S	0.48345	0.66353	0.75830	4
S3	S	0.07827	0.35385	0.26210	4

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

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	-0.79000	0.81000	-1.75000
2	0.50000	0.50000	0.00000	-m_x,m_y,-m_z	0.79000	0.81000	1.75000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	-0.61000	-0.57000	1.75000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.61000	-0.57000	-1.75000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom N1:

Set of atoms in the unit cell related by symmetry with the atom N2:

Set of atoms in the unit cell related by symmetry with the atom N3:

Set of atoms in the unit cell related by symmetry with the atom C1:

Set of atoms in the unit cell related by symmetry with the atom C2:

Set of atoms in the unit cell related by symmetry with the atom C3:

Set of atoms in the unit cell related by symmetry with the atom Cs1:

Set of atoms in the unit cell related by symmetry with the atom S1:

Set of atoms in the unit cell related by symmetry with the atom S2:

Set of atoms in the unit cell related by symmetry with the atom S3:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.50000	2	m_x,m_y,m_z	-0.79(14)	0.81(16)	-1.75(2)	2.01
Ni2	Ni	0.50000	0.00000	0.50000	2	m_x,m_y,m_z	-0.61(14)	-0.57(16)	1.75(2)	2.00

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	6

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