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,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
4	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(1/2,1/2,1/2)' + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
6	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }

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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	-1
4	x,-y,z,+1	m₀₁₀
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	-1'
8	x,-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
U1	U	0.73280	0.86580	0.99690	8	m_x,m_y,m_z	-0.89(4)	1.58(3)	0.0	1.81

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Rh1	Rh	0.00000	0.00000	0.25000	4
Rh2	Rh	0.89690	0.64140	0.02150	8
Si1	Si	0.00000	0.78600	0.25000	4
Si2	Si	0.00000	0.48460	0.25000	4
Si3	Si	0.00000	0.22150	0.25000	4
Si4	Si	0.66130	0.60020	0.99810	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 U1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.73280	0.86580	0.99690	m_x,m_y,m_z	-0.89000	1.58000	0.00000
2	0.26720	0.86580	0.50310	-m_x,m_y,-m_z	0.89000	1.58000	0.00000
3	0.76720	0.63420	0.50310	m_x,m_y,m_z	-0.89000	1.58000	0.00000
4	0.23280	0.63420	0.99690	-m_x,m_y,-m_z	0.89000	1.58000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.23280	0.36580	0.49690	-m_x,-m_y,-m_z	0.89000	-1.58000	0.00000
6	0.76720	0.36580	0.00310	m_x,-m_y,m_z	-0.89000	-1.58000	0.00000
7	0.26720	0.13420	0.00310	-m_x,-m_y,-m_z	0.89000	-1.58000	0.00000
8	0.73280	0.13420	0.49690	m_x,-m_y,m_z	-0.89000	-1.58000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Rh1:

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

Set of atoms in the unit cell related by symmetry with the atom Rh2:

Atom	x	y	z
1	0.89690	0.64140	0.02150
2	0.10310	0.64140	0.47850
3	0.60310	0.85860	0.47850
4	0.39690	0.85860	0.02150
(1/2,1/2,1/2)' + set click here to show and hide
5	0.39690	0.14140	0.52150
6	0.60310	0.14140	0.97850
7	0.10310	0.35860	0.97850
8	0.89690	0.35860	0.52150

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.00000	0.78600	0.25000
2	0.50000	0.71400	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.28600	0.75000
4	0.00000	0.21400	0.75000

Set of atoms in the unit cell related by symmetry with the atom Si2:

Atom	x	y	z
1	0.00000	0.48460	0.25000
2	0.50000	0.01540	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.98460	0.75000
4	0.00000	0.51540	0.75000

Set of atoms in the unit cell related by symmetry with the atom Si3:

Atom	x	y	z
1	0.00000	0.22150	0.25000
2	0.50000	0.27850	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.72150	0.75000
4	0.00000	0.77850	0.75000

Set of atoms in the unit cell related by symmetry with the atom Si4:

Atom	x	y	z
1	0.66130	0.60020	0.99810
2	0.33870	0.60020	0.50190
3	0.83870	0.89980	0.50190
4	0.16130	0.89980	0.99810
(1/2,1/2,1/2)' + set click here to show and hide
5	0.16130	0.10020	0.49810
6	0.83870	0.10020	0.00190
7	0.33870	0.39980	0.00190
8	0.66130	0.39980	0.49810

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
U1	U	0.73280	0.86580	0.99690	8	m_x,m_y,m_z	-0.89(4)	1.58(3)	0.0	1.81

label	dim. small irrep	dim. full irrep	action	number of modes
mY1-	1	1	primary	3

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