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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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	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	0.70(4)	1.54(5)	-0.57(5)	1.79
Ir1	Ir	0.00000	0.00000	0.00000	2	m_x,m_y,m_z	0.20(5)	-0.50(5)	-0.23(5)	0.59
Pr1	Pr	0.0161(9)	0.5610(4)	0.759(2)	4	m_x,m_y,m_z	0.77(3)	0.92(4)	0.12(3)	1.21

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.0974(5)	0.0261(6)	0.260(1)	4
O2	O	0.201(2)	0.2865(8)	-0.0530(8)	4
O3	O	0.197(2)	0.3105(8)	0.547(1)	4

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	0.70000	1.54000	-0.57000
2	0.50000	0.50000	0.00000	-m_x,m_y,-m_z	-0.70000	1.54000	0.57000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.20000	-0.50000	-0.23000
2	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-0.20000	-0.50000	0.23000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01610	0.56100	0.75900	m_x,m_y,m_z	0.77000	0.92000	0.12000
2	0.48390	0.06100	0.74100	-m_x,m_y,-m_z	-0.77000	0.92000	-0.12000
3	0.98390	0.43900	0.24100	m_x,m_y,m_z	0.77000	0.92000	0.12000
4	0.51610	0.93900	0.25900	-m_x,m_y,-m_z	-0.77000	0.92000	-0.12000

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	0.70(4)	1.54(5)	-0.57(5)	1.79
Ir1	Ir	0.00000	0.00000	0.00000	2	m_x,m_y,m_z	0.20(5)	-0.50(5)	-0.23(5)	0.59
Pr1	Pr	0.0161(9)	0.5610(4)	0.759(2)	4	m_x,m_y,m_z	0.77(3)	0.92(4)	0.12(3)	1.21

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	0.70000	1.54000	-0.57000
2	0.50000	0.50000	0.00000	-m_x,m_y,-m_z	-0.70000	1.54000	0.57000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.20000	-0.50000	-0.23000
2	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-0.20000	-0.50000	0.23000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01610	0.56100	0.75900	m_x,m_y,m_z	0.77000	0.92000	0.12000
2	0.48390	0.06100	0.74100	-m_x,m_y,-m_z	-0.77000	0.92000	-0.12000
3	0.98390	0.43900	0.24100	m_x,m_y,m_z	0.77000	0.92000	0.12000
4	0.51610	0.93900	0.25900	-m_x,m_y,-m_z	-0.77000	0.92000	-0.12000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	9

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