MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Mn1	Mn	0.73500	0.53500	0.42000	4	m_x,m_y,m_z	-2.68(1)	2.68
Mn2	Mn	0.44800	0.47600	0.46300	1	m_x,m_y,m_z	2.68(1).	2.68
Mn3	Mn	0.39400	0.50000	0.75700	4	m_x,m_y,m_z	-2.68(1)	2.68
Mn4	Mn	0.55800	0.00000	0.59200	4	m_x,m_y,m_z	2.68(1)	2.68

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nb1	Nb	0.10900	0.50800	0.82000	4
Nb2	Nb	0.77600	0.49200	0.64700	4
O1	O	0.73000	0.69800	0.78700	4
O2	O	0.19300	0.68700	0.70100	4
O3	O	0.12600	0.87000	0.07100	4
O4	O	0.86300	0.33400	0.53800	4
O5	O	0.52300	0.66300	0.35900	4
O6	O	0.57100	0.19100	0.45200	4
O7	O	0.79100	0.84400	0.39700	4
O8	O	0.46400	0.89300	0.73300	4
O9	O	0.40000	0.29100	0.61900	4

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	0.73500	0.53500	0.42000	m_x,m_y,m_z	0.00000	0.00000	-2.68000
2	0.73500	0.46500	0.92000	-m_x,m_y,-m_z	0.00000	0.00000	2.68000
(1/2,1/2,0) + set click here to show and hide
3	0.23500	0.03500	0.42000	m_x,m_y,m_z	0.00000	0.00000	-2.68000
4	0.23500	0.96500	0.92000	-m_x,m_y,-m_z	0.00000	0.00000	2.68000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.39400	0.50000	0.75700	m_x,m_y,m_z	0.00000	0.00000	-2.68000
2	0.39400	0.50000	0.25700	-m_x,m_y,-m_z	0.00000	0.00000	2.68000
(1/2,1/2,0) + set click here to show and hide
3	0.89400	0.00000	0.75700	m_x,m_y,m_z	0.00000	0.00000	-2.68000
4	0.89400	0.00000	0.25700	-m_x,m_y,-m_z	0.00000	0.00000	2.68000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.55800	0.00000	0.59200	m_x,m_y,m_z	0.00000	0.00000	2.68000
2	0.55800	0.00000	0.09200	-m_x,m_y,-m_z	0.00000	0.00000	-2.68000
(1/2,1/2,0) + set click here to show and hide
3	0.05800	0.50000	0.59200	m_x,m_y,m_z	0.00000	0.00000	2.68000
4	0.05800	0.50000	0.09200	-m_x,m_y,-m_z	0.00000	0.00000	-2.68000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Nb1:

Atom	x	y	z
1	0.10900	0.50800	0.82000
2	0.10900	0.49200	0.32000
(1/2,1/2,0) + set click here to show and hide
3	0.60900	0.00800	0.82000
4	0.60900	0.99200	0.32000

Set of atoms in the unit cell related by symmetry with the atom Nb2:

Atom	x	y	z
1	0.77600	0.49200	0.64700
2	0.77600	0.50800	0.14700
(1/2,1/2,0) + set click here to show and hide
3	0.27600	0.99200	0.64700
4	0.27600	0.00800	0.14700

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

Atom	x	y	z
1	0.73000	0.69800	0.78700
2	0.73000	0.30200	0.28700
(1/2,1/2,0) + set click here to show and hide
3	0.23000	0.19800	0.78700
4	0.23000	0.80200	0.28700

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

Atom	x	y	z
1	0.19300	0.68700	0.70100
2	0.19300	0.31300	0.20100
(1/2,1/2,0) + set click here to show and hide
3	0.69300	0.18700	0.70100
4	0.69300	0.81300	0.20100

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

Atom	x	y	z
1	0.12600	0.87000	0.07100
2	0.12600	0.13000	0.57100
(1/2,1/2,0) + set click here to show and hide
3	0.62600	0.37000	0.07100
4	0.62600	0.63000	0.57100

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

Atom	x	y	z
1	0.86300	0.33400	0.53800
2	0.86300	0.66600	0.03800
(1/2,1/2,0) + set click here to show and hide
3	0.36300	0.83400	0.53800
4	0.36300	0.16600	0.03800

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.52300	0.66300	0.35900
2	0.52300	0.33700	0.85900
(1/2,1/2,0) + set click here to show and hide
3	0.02300	0.16300	0.35900
4	0.02300	0.83700	0.85900

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.57100	0.19100	0.45200
2	0.57100	0.80900	0.95200
(1/2,1/2,0) + set click here to show and hide
3	0.07100	0.69100	0.45200
4	0.07100	0.30900	0.95200

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.79100	0.84400	0.39700
2	0.79100	0.15600	0.89700
(1/2,1/2,0) + set click here to show and hide
3	0.29100	0.34400	0.39700
4	0.29100	0.65600	0.89700

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.46400	0.89300	0.73300
2	0.46400	0.10700	0.23300
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3	0.96400	0.39300	0.73300
4	0.96400	0.60700	0.23300

Set of atoms in the unit cell related by symmetry with the atom O9:

Atom	x	y	z
1	0.40000	0.29100	0.61900
2	0.40000	0.70900	0.11900
(1/2,1/2,0) + set click here to show and hide
3	0.90000	0.79100	0.61900
4	0.90000	0.20900	0.11900

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Mn1	Mn	0.73500	0.53500	0.42000	4	m_x,m_y,m_z	-2.68(1)	2.68
Mn2	Mn	0.44800	0.47600	0.46300	1	m_x,m_y,m_z	2.68(1).	2.68
Mn3	Mn	0.39400	0.50000	0.75700	4	m_x,m_y,m_z	-2.68(1)	2.68
Mn4	Mn	0.55800	0.00000	0.59200	4	m_x,m_y,m_z	2.68(1)	2.68

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1	1	1	primary	12

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