MAGNDATA - Collection of Magnetic Structures

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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.84200	0.33300	8	m_x,m_y,m_z	2.25(5)	1.0(1)	-3.18(5)	4.02

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1_1	Cu	0.37655	0.67810	0.08900	8
Cu1_2	Cu	0.87345	0.32190	0.33900	8
Si1	Si	0.00000	0.17680	0.09350	8
S1	S	0.00000	0.86000	0.03250	8
S2	S	0.00000	0.18700	0.25900	8
S3_1	S	0.36565	0.66800	0.27600	8
S3_2	S	0.88435	0.33200	0.52600	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.84200	0.33300	m_x,m_y,m_z	2.25000	1.00000	-3.18000
2	0.25000	0.15800	0.58300	-m_x,m_y,-m_z	-2.25000	1.00000	3.18000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.84200	0.83300	m_x,m_y,m_z	2.25000	1.00000	-3.18000
4	0.75000	0.15800	0.08300	-m_x,m_y,-m_z	-2.25000	1.00000	3.18000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.84200	0.83300	-m_x,-m_y,-m_z	-2.25000	-1.00000	3.18000
6	0.25000	0.15800	0.08300	m_x,-m_y,m_z	2.25000	-1.00000	-3.18000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.84200	0.33300	-m_x,-m_y,-m_z	-2.25000	-1.00000	3.18000
8	0.75000	0.15800	0.58300	m_x,-m_y,m_z	2.25000	-1.00000	-3.18000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.37655	0.67810	0.08900
2	0.62655	0.32190	0.33900
(1/2,0,1/2) + set click here to show and hide
3	0.87655	0.67810	0.58900
4	0.12655	0.32190	0.83900
(0,0,1/2)' + set click here to show and hide
5	0.37655	0.67810	0.58900
6	0.62655	0.32190	0.83900
(1/2,0,0)' + set click here to show and hide
7	0.87655	0.67810	0.08900
8	0.12655	0.32190	0.33900

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.87345	0.32190	0.33900
2	0.12345	0.67810	0.58900
(1/2,0,1/2) + set click here to show and hide
3	0.37345	0.32190	0.83900
4	0.62345	0.67810	0.08900
(0,0,1/2)' + set click here to show and hide
5	0.87345	0.32190	0.83900
6	0.12345	0.67810	0.08900
(1/2,0,0)' + set click here to show and hide
7	0.37345	0.32190	0.33900
8	0.62345	0.67810	0.58900

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

Atom	x	y	z
1	0.00000	0.17680	0.09350
2	0.25000	0.82320	0.34350
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.17680	0.59350
4	0.75000	0.82320	0.84350
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.17680	0.59350
6	0.25000	0.82320	0.84350
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.17680	0.09350
8	0.75000	0.82320	0.34350

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

Atom	x	y	z
1	0.00000	0.86000	0.03250
2	0.25000	0.14000	0.28250
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.86000	0.53250
4	0.75000	0.14000	0.78250
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.86000	0.53250
6	0.25000	0.14000	0.78250
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.86000	0.03250
8	0.75000	0.14000	0.28250

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

Atom	x	y	z
1	0.00000	0.18700	0.25900
2	0.25000	0.81300	0.50900
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.18700	0.75900
4	0.75000	0.81300	0.00900
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.18700	0.75900
6	0.25000	0.81300	0.00900
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.18700	0.25900
8	0.75000	0.81300	0.50900

Set of atoms in the unit cell related by symmetry with the atom S3_1:

Atom	x	y	z
1	0.36565	0.66800	0.27600
2	0.61565	0.33200	0.52600
(1/2,0,1/2) + set click here to show and hide
3	0.86565	0.66800	0.77600
4	0.11565	0.33200	0.02600
(0,0,1/2)' + set click here to show and hide
5	0.36565	0.66800	0.77600
6	0.61565	0.33200	0.02600
(1/2,0,0)' + set click here to show and hide
7	0.86565	0.66800	0.27600
8	0.11565	0.33200	0.52600

Set of atoms in the unit cell related by symmetry with the atom S3_2:

Atom	x	y	z
1	0.88435	0.33200	0.52600
2	0.13435	0.66800	0.77600
(1/2,0,1/2) + set click here to show and hide
3	0.38435	0.33200	0.02600
4	0.63435	0.66800	0.27600
(0,0,1/2)' + set click here to show and hide
5	0.88435	0.33200	0.02600
6	0.13435	0.66800	0.27600
(1/2,0,0)' + set click here to show and hide
7	0.38435	0.33200	0.52600
8	0.63435	0.66800	0.77600

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.84200	0.33300	8	m_x,m_y,m_z	2.25(5)	1.0(1)	-3.18(5)	4.02

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mU1	2	2	special	primary	3

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