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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
3	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
(1/2,0,1/2)' + set click here to show and hide
5	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
6	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
7	-x,y+1/2,z,-1	{ m'₁₀₀ \| 0 1/2 0 }
8	x,y,-z,-1	{ m'₀₀₁ \| 0 }

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,y,z,+1	m₁₀₀
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,y,-z,-1	m'₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.25330	0.75120	0.40110	8	m_x,m_y,m_z	0.0	1.59(7)	0.0	1.59

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.73820	0.19490	0.00000	4
Ca2	Ca	0.24430	0.30360	0.31120	8
O1	O	0.81880	0.23090	0.69870	8
O2	O	0.83700	0.77020	0.00000	4
O3	O	0.44740	0.95000	0.08190	8
O4	O	0.94810	0.04580	0.11620	8

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 Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25330	0.75120	0.40110	m_x,m_y,m_z	0.00000	1.59000	0.00000
2	0.74670	0.25120	0.59890	-m_x,m_y,-m_z	0.00000	1.59000	0.00000
3	0.24670	0.25120	0.90110	m_x,-m_y,-m_z	0.00000	-1.59000	0.00000
4	0.75330	0.75120	0.09890	-m_x,-m_y,m_z	0.00000	-1.59000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.75330	0.75120	0.90110	-m_x,-m_y,-m_z	0.00000	-1.59000	0.00000
6	0.24670	0.25120	0.09890	m_x,-m_y,m_z	0.00000	-1.59000	0.00000
7	0.74670	0.25120	0.40110	-m_x,m_y,m_z	0.00000	1.59000	0.00000
8	0.25330	0.75120	0.59890	m_x,m_y,-m_z	0.00000	1.59000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Atom	x	y	z
1	0.73820	0.19490	0.00000
2	0.26180	0.69490	0.00000
(1/2,0,1/2)' + set click here to show and hide
3	0.23820	0.19490	0.50000
4	0.76180	0.69490	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ca2:

Atom	x	y	z
1	0.24430	0.30360	0.31120
2	0.75570	0.80360	0.68880
3	0.25570	0.80360	0.81120
4	0.74430	0.30360	0.18880
(1/2,0,1/2)' + set click here to show and hide
5	0.74430	0.30360	0.81120
6	0.25570	0.80360	0.18880
7	0.75570	0.80360	0.31120
8	0.24430	0.30360	0.68880

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.81880	0.23090	0.69870
2	0.18120	0.73090	0.30130
3	0.68120	0.73090	0.19870
4	0.31880	0.23090	0.80130
(1/2,0,1/2)' + set click here to show and hide
5	0.31880	0.23090	0.19870
6	0.68120	0.73090	0.80130
7	0.18120	0.73090	0.69870
8	0.81880	0.23090	0.30130

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.83700	0.77020	0.00000
2	0.16300	0.27020	0.00000
(1/2,0,1/2)' + set click here to show and hide
3	0.33700	0.77020	0.50000
4	0.66300	0.27020	0.50000

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.44740	0.95000	0.08190
2	0.55260	0.45000	0.91810
3	0.05260	0.45000	0.58190
4	0.94740	0.95000	0.41810
(1/2,0,1/2)' + set click here to show and hide
5	0.94740	0.95000	0.58190
6	0.05260	0.45000	0.41810
7	0.55260	0.45000	0.08190
8	0.44740	0.95000	0.91810

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.94810	0.04580	0.11620
2	0.05190	0.54580	0.88380
3	0.55190	0.54580	0.61620
4	0.44810	0.04580	0.38380
(1/2,0,1/2)' + set click here to show and hide
5	0.44810	0.04580	0.61620
6	0.55190	0.54580	0.38380
7	0.05190	0.54580	0.11620
8	0.94810	0.04580	0.88380

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.25330	0.75120	0.40110	8	m_x,m_y,m_z	0.0	1.59(7)	0.0	1.59

label	dim. small irrep	dim. full irrep	action	number of modes
mY2	1	1	primary	1

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