MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y+1/2,z,-1	{ m'₁₀₀ \| 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.0000	0.0000	0.0000	2	m_x,m_y,m_z	0.0	-4.53	-1.07	4.65
Mn1_2	Mn	0.5000	0.7500	0.5000	2	m_x,m_y,m_z	0.0	-4.53	-1.07	4.65
Mn1_3	Mn	0.0000	0.2500	0.2500	2	m_x,m_y,m_z	0.0	-4.53	1.07	4.65
Mn1_4	Mn	0.5000	0.5000	0.7500	2	m_x,m_y,m_z	0.0	-4.53	1.07	4.65
Mn2_1	Mn	0.0000	0.8750	0.6250	2	m_x,m_y,m_z	0.0	1.25	-3.32	3.55
Mn2_2	Mn	0.5000	0.3750	0.1250	2	m_x,m_y,m_z	0.0	1.25	3.32	3.55
Mn2_3	Mn	0.5000	0.1250	0.1250	2	m_x,m_y,m_z	0.0	1.25	-3.32	3.55
Mn2_4	Mn	0.0000	0.6250	0.6250	2	m_x,m_y,m_z	0.0	1.25	3.32	3.55
Mn2_5	Mn	0.2500	0.2500	0.8750	2	m_x,m_y,m_z	-1.29	1.43	2.98	3.55
Mn2_6	Mn	0.2500	0.7500	0.8750	2	m_x,m_y,m_z	-1.29	1.43	-2.98	3.55
Mn2_7	Mn	0.7500	0.0000	0.3750	2	m_x,m_y,m_z	-1.29	1.43	2.98	3.55
Mn2_8	Mn	0.7500	0.5000	0.3750	2	m_x,m_y,m_z	-1.29	1.43	-2.98	3.55

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.0000	0.1104	0.3834	2
O1_2	O	0.5000	0.6104	0.3666	2
O1_3	O	0.0000	0.1396	0.8666	2
O1_4	O	0.5000	0.6396	0.8834	2
O1_5	O	0.7792	0.2500	0.6334	2
O1_6	O	0.7208	0.7500	0.1166	2
O1_7	O	0.2208	0.0000	0.6166	2
O1_8	O	0.2792	0.5000	0.1334	2
O1_9	O	0.7208	0.2500	0.1166	2
O1_10	O	0.7792	0.7500	0.6334	2
O1_11	O	0.2792	0.0000	0.1334	2
O1_12	O	0.2208	0.5000	0.6166	2
O1_13	O	0.5000	0.3604	0.8834	2
O1_14	O	0.0000	0.8604	0.8666	2
O1_15	O	0.5000	0.8896	0.3666	2
O1_16	O	0.0000	0.3896	0.3834	2

Atom	x	y	z
1	0.00000	0.11040	0.38340
2	0.00000	0.61040	0.38340

Atom	x	y	z
1	0.50000	0.61040	0.36660
2	0.50000	0.11040	0.36660

Atom	x	y	z
1	0.00000	0.13960	0.86660
2	0.00000	0.63960	0.86660

Atom	x	y	z
1	0.50000	0.63960	0.88340
2	0.50000	0.13960	0.88340

Atom	x	y	z
1	0.77920	0.25000	0.63340
2	0.22080	0.75000	0.63340

Atom	x	y	z
1	0.72080	0.75000	0.11660
2	0.27920	0.25000	0.11660

Atom	x	y	z
1	0.22080	0.00000	0.61660
2	0.77920	0.50000	0.61660

Atom	x	y	z
1	0.27920	0.50000	0.13340
2	0.72080	0.00000	0.13340

Atom	x	y	z
1	0.72080	0.25000	0.11660
2	0.27920	0.75000	0.11660

Atom	x	y	z
1	0.77920	0.75000	0.63340
2	0.22080	0.25000	0.63340

Atom	x	y	z
1	0.27920	0.00000	0.13340
2	0.72080	0.50000	0.13340

Atom	x	y	z
1	0.22080	0.50000	0.61660
2	0.77920	0.00000	0.61660

Atom	x	y	z
1	0.50000	0.36040	0.88340
2	0.50000	0.86040	0.88340

Atom	x	y	z
1	0.00000	0.86040	0.86660
2	0.00000	0.36040	0.86660

Atom	x	y	z
1	0.50000	0.88960	0.36660
2	0.50000	0.38960	0.36660

Atom	x	y	z
1	0.00000	0.38960	0.38340
2	0.00000	0.88960	0.38340

[Show all atoms in unit cell and their moment relations]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.0000	0.0000	0.0000	2	m_x,m_y,m_z	0.0	-4.53	-1.07	4.65
Mn1_2	Mn	0.5000	0.7500	0.5000	2	m_x,m_y,m_z	0.0	-4.53	-1.07	4.65
Mn1_3	Mn	0.0000	0.2500	0.2500	2	m_x,m_y,m_z	0.0	-4.53	1.07	4.65
Mn1_4	Mn	0.5000	0.5000	0.7500	2	m_x,m_y,m_z	0.0	-4.53	1.07	4.65
Mn2_1	Mn	0.0000	0.8750	0.6250	2	m_x,m_y,m_z	0.0	1.25	-3.32	3.55
Mn2_2	Mn	0.5000	0.3750	0.1250	2	m_x,m_y,m_z	0.0	1.25	3.32	3.55
Mn2_3	Mn	0.5000	0.1250	0.1250	2	m_x,m_y,m_z	0.0	1.25	-3.32	3.55
Mn2_4	Mn	0.0000	0.6250	0.6250	2	m_x,m_y,m_z	0.0	1.25	3.32	3.55
Mn2_5	Mn	0.2500	0.2500	0.8750	2	m_x,m_y,m_z	-1.29	1.43	2.98	3.55
Mn2_6	Mn	0.2500	0.7500	0.8750	2	m_x,m_y,m_z	-1.29	1.43	-2.98	3.55
Mn2_7	Mn	0.7500	0.0000	0.3750	2	m_x,m_y,m_z	-1.29	1.43	2.98	3.55
Mn2_8	Mn	0.7500	0.5000	0.3750	2	m_x,m_y,m_z	-1.29	1.43	-2.98	3.55

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.00000	-4.53000	-1.07000
2	0.00000	0.50000	0.00000	-m_x,m_y,m_z	0.00000	-4.53000	-1.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.75000	0.50000	m_x,m_y,m_z	0.00000	-4.53000	-1.07000
2	0.50000	0.25000	0.50000	-m_x,m_y,m_z	0.00000	-4.53000	-1.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.25000	m_x,m_y,m_z	0.00000	-4.53000	1.07000
2	0.00000	0.75000	0.25000	-m_x,m_y,m_z	0.00000	-4.53000	1.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.75000	m_x,m_y,m_z	0.00000	-4.53000	1.07000
2	0.50000	0.00000	0.75000	-m_x,m_y,m_z	0.00000	-4.53000	1.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.87500	0.62500	m_x,m_y,m_z	0.00000	1.25000	-3.32000
2	0.00000	0.37500	0.62500	-m_x,m_y,m_z	0.00000	1.25000	-3.32000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.37500	0.12500	m_x,m_y,m_z	0.00000	1.25000	3.32000
2	0.50000	0.87500	0.12500	-m_x,m_y,m_z	0.00000	1.25000	3.32000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.12500	0.12500	m_x,m_y,m_z	0.00000	1.25000	-3.32000
2	0.50000	0.62500	0.12500	-m_x,m_y,m_z	0.00000	1.25000	-3.32000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.62500	0.62500	m_x,m_y,m_z	0.00000	1.25000	3.32000
2	0.00000	0.12500	0.62500	-m_x,m_y,m_z	0.00000	1.25000	3.32000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.87500	m_x,m_y,m_z	-1.29000	1.43000	2.98000
2	0.75000	0.75000	0.87500	-m_x,m_y,m_z	1.29000	1.43000	2.98000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_6:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.87500	m_x,m_y,m_z	-1.29000	1.43000	-2.98000
2	0.75000	0.25000	0.87500	-m_x,m_y,m_z	1.29000	1.43000	-2.98000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_7:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.00000	0.37500	m_x,m_y,m_z	-1.29000	1.43000	2.98000
2	0.25000	0.50000	0.37500	-m_x,m_y,m_z	1.29000	1.43000	2.98000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_8:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.50000	0.37500	m_x,m_y,m_z	-1.29000	1.43000	-2.98000
2	0.25000	0.00000	0.37500	-m_x,m_y,m_z	1.29000	1.43000	-2.98000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM5+	2	2	special	primary	4
mSM3	4	2	general	primary	8
mGM3+	1	1		primary?	3
mGM4+	1	1		secondary?	2	yes
mGM2-	1	1		secondary?	1	yes
mGM5-	2	2	special	secondary	1	no
mSM1	4	2	general	secondary	6	no
mM2	2	2	general	secondary	6	no
mM3	2	2	special	secondary	2	no
mM4	2	2	special	secondary	3	no

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

Mn₃O₄ (#2.52)

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

Mn3O4 (#2.52)

Mn₃O₄ (#2.52)