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+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
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5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
7	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
8	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 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	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.18300	0.12500	8	m_x,m_y,m_z	0.42(11)	3.15(3)	1.99(5)	3.75

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
V1_1	V	0.16980	0.32020	0.37650	8
V1_2	V	0.33020	0.17980	0.62650	8
O1_1	O	0.09470	0.40000	0.23100	8
O1_2	O	0.40530	0.10000	0.48100	8
O2_1	O	0.08750	0.11200	0.44750	8
O2_2	O	0.41250	0.38800	0.69750	8
O3_1	O	0.25600	0.14000	0.30350	8
O3_2	O	0.24400	0.36000	0.55350	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	0.18300	0.12500	m_x,m_y,m_z	0.42000	3.15000	1.99000
2	0.50000	0.31700	0.87500	m_x,-m_y,-m_z	0.42000	-3.15000	-1.99000
3	0.00000	0.81700	0.87500	m_x,m_y,m_z	0.42000	3.15000	1.99000
4	0.50000	0.68300	0.12500	m_x,-m_y,-m_z	0.42000	-3.15000	-1.99000
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5	0.00000	0.18300	0.62500	-m_x,-m_y,-m_z	-0.42000	-3.15000	-1.99000
6	0.50000	0.31700	0.37500	-m_x,m_y,m_z	-0.42000	3.15000	1.99000
7	0.00000	0.81700	0.37500	-m_x,-m_y,-m_z	-0.42000	-3.15000	-1.99000
8	0.50000	0.68300	0.62500	-m_x,m_y,m_z	-0.42000	3.15000	1.99000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom V1_1:

Atom	x	y	z
1	0.16980	0.32020	0.37650
2	0.66980	0.17980	0.62350
3	0.83020	0.67980	0.62350
4	0.33020	0.82020	0.37650
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5	0.16980	0.32020	0.87650
6	0.66980	0.17980	0.12350
7	0.83020	0.67980	0.12350
8	0.33020	0.82020	0.87650

Set of atoms in the unit cell related by symmetry with the atom V1_2:

Atom	x	y	z
1	0.33020	0.17980	0.62650
2	0.83020	0.32020	0.37350
3	0.66980	0.82020	0.37350
4	0.16980	0.67980	0.62650
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5	0.33020	0.17980	0.12650
6	0.83020	0.32020	0.87350
7	0.66980	0.82020	0.87350
8	0.16980	0.67980	0.12650

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.09470	0.40000	0.23100
2	0.59470	0.10000	0.76900
3	0.90530	0.60000	0.76900
4	0.40530	0.90000	0.23100
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5	0.09470	0.40000	0.73100
6	0.59470	0.10000	0.26900
7	0.90530	0.60000	0.26900
8	0.40530	0.90000	0.73100

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.40530	0.10000	0.48100
2	0.90530	0.40000	0.51900
3	0.59470	0.90000	0.51900
4	0.09470	0.60000	0.48100
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5	0.40530	0.10000	0.98100
6	0.90530	0.40000	0.01900
7	0.59470	0.90000	0.01900
8	0.09470	0.60000	0.98100

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.08750	0.11200	0.44750
2	0.58750	0.38800	0.55250
3	0.91250	0.88800	0.55250
4	0.41250	0.61200	0.44750
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5	0.08750	0.11200	0.94750
6	0.58750	0.38800	0.05250
7	0.91250	0.88800	0.05250
8	0.41250	0.61200	0.94750

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.41250	0.38800	0.69750
2	0.91250	0.11200	0.30250
3	0.58750	0.61200	0.30250
4	0.08750	0.88800	0.69750
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5	0.41250	0.38800	0.19750
6	0.91250	0.11200	0.80250
7	0.58750	0.61200	0.80250
8	0.08750	0.88800	0.19750

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.25600	0.14000	0.30350
2	0.75600	0.36000	0.69650
3	0.74400	0.86000	0.69650
4	0.24400	0.64000	0.30350
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5	0.25600	0.14000	0.80350
6	0.75600	0.36000	0.19650
7	0.74400	0.86000	0.19650
8	0.24400	0.64000	0.80350

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.24400	0.36000	0.55350
2	0.74400	0.14000	0.44650
3	0.75600	0.64000	0.44650
4	0.25600	0.86000	0.55350
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5	0.24400	0.36000	0.05350
6	0.74400	0.14000	0.94650
7	0.75600	0.64000	0.94650
8	0.25600	0.86000	0.05350

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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	0.18300	0.12500	8	m_x,m_y,m_z	0.42(11)	3.15(3)	1.99(5)	3.75

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ1	2	2	special	primary	3

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