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+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
4	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
7	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
8	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
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9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
11	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
12	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
13	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
14	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
15	x,y,-z,-1	{ m'₀₀₁ \| 0 }
16	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,z,+1	2₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	x,y,-z,+1	m₀₀₁
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	-x,-y,z,-1	2'₀₀₁
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	x,y,-z,-1	m'₀₀₁
16	-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\|
Pr1	Pr	0.14210	0.17320	0.00000	8	m_x,m_y,0	0.0	0.0	0.0	0.00
Mn1	Mn	0.00000	0.50000	0.12915	8	m_x,m_y,0	1.47(3)	-2.17(4)	0.0	2.62
Mn2	Mn	0.40970	0.35110	0.25000	8	0,0,m_z	0.0	0.0	0.59(5)	0.59

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.00000	0.00000	0.13900	8
O2	O	0.15660	0.44910	0.00000	8
O3	O	0.15110	0.43530	0.25000	8
O4	O	0.40300	0.20670	0.12540	16

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 Pr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.14210	0.17320	0.00000	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.35790	0.67320	0.50000	-m_x,m_y,0	0.00000	0.00000	0.00000
3	0.85790	0.82680	0.50000	-m_x,-m_y,0	0.00000	0.00000	0.00000
4	0.64210	0.32680	0.00000	m_x,-m_y,0	0.00000	0.00000	0.00000
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5	0.14210	0.17320	0.50000	-m_x,-m_y,0	0.00000	0.00000	0.00000
6	0.35790	0.67320	0.00000	m_x,-m_y,0	0.00000	0.00000	0.00000
7	0.85790	0.82680	0.00000	m_x,m_y,0	0.00000	0.00000	0.00000
8	0.64210	0.32680	0.50000	-m_x,m_y,0	0.00000	0.00000	0.00000

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	0.50000	0.12915	m_x,m_y,0	1.47000	-2.17000	0.00000
2	0.50000	0.00000	0.37085	-m_x,m_y,0	-1.47000	-2.17000	0.00000
3	0.00000	0.50000	0.87085	m_x,m_y,0	1.47000	-2.17000	0.00000
4	0.50000	0.00000	0.62915	-m_x,m_y,0	-1.47000	-2.17000	0.00000
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5	0.00000	0.50000	0.62915	-m_x,-m_y,0	-1.47000	2.17000	0.00000
6	0.50000	0.00000	0.87085	m_x,-m_y,0	1.47000	2.17000	0.00000
7	0.00000	0.50000	0.37085	-m_x,-m_y,0	-1.47000	2.17000	0.00000
8	0.50000	0.00000	0.12915	m_x,-m_y,0	1.47000	2.17000	0.00000

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	0.40970	0.35110	0.25000	0,0,m_z	0.00000	0.00000	0.59000
2	0.09030	0.85110	0.25000	0,0,-m_z	0.00000	0.00000	-0.59000
3	0.59030	0.64890	0.75000	0,0,m_z	0.00000	0.00000	0.59000
4	0.90970	0.14890	0.75000	0,0,-m_z	0.00000	0.00000	-0.59000
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5	0.40970	0.35110	0.75000	0,0,-m_z	0.00000	0.00000	-0.59000
6	0.09030	0.85110	0.75000	0,0,m_z	0.00000	0.00000	0.59000
7	0.59030	0.64890	0.25000	0,0,-m_z	0.00000	0.00000	-0.59000
8	0.90970	0.14890	0.25000	0,0,m_z	0.00000	0.00000	0.59000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.13900
2	0.50000	0.50000	0.36100
3	0.00000	0.00000	0.86100
4	0.50000	0.50000	0.63900
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5	0.00000	0.00000	0.63900
6	0.50000	0.50000	0.86100
7	0.00000	0.00000	0.36100
8	0.50000	0.50000	0.13900

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

Atom	x	y	z
1	0.15660	0.44910	0.00000
2	0.34340	0.94910	0.50000
3	0.84340	0.55090	0.50000
4	0.65660	0.05090	0.00000
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5	0.15660	0.44910	0.50000
6	0.34340	0.94910	0.00000
7	0.84340	0.55090	0.00000
8	0.65660	0.05090	0.50000

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

Atom	x	y	z
1	0.15110	0.43530	0.25000
2	0.34890	0.93530	0.25000
3	0.84890	0.56470	0.75000
4	0.65110	0.06470	0.75000
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5	0.15110	0.43530	0.75000
6	0.34890	0.93530	0.75000
7	0.84890	0.56470	0.25000
8	0.65110	0.06470	0.25000

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

Atom	x	y	z
1	0.40300	0.20670	0.12540
2	0.09700	0.70670	0.37460
3	0.59700	0.79330	0.62540
4	0.90300	0.29330	0.87460
5	0.59700	0.79330	0.87460
6	0.90300	0.29330	0.62540
7	0.40300	0.20670	0.37460
8	0.09700	0.70670	0.12540
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9	0.40300	0.20670	0.62540
10	0.09700	0.70670	0.87460
11	0.59700	0.79330	0.12540
12	0.90300	0.29330	0.37460
13	0.59700	0.79330	0.37460
14	0.90300	0.29330	0.12540
15	0.40300	0.20670	0.87460
16	0.09700	0.70670	0.62540

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1	Pr	0.14210	0.17320	0.00000	8	m_x,m_y,0	0.0	0.0	0.0	0.00
Mn1	Mn	0.00000	0.50000	0.12915	8	m_x,m_y,0	1.47(3)	-2.17(4)	0.0	2.62
Mn2	Mn	0.40970	0.35110	0.25000	8	0,0,m_z	0.0	0.0	0.59(5)	0.59

label	dim. small irrep	dim. full irrep	action	number of modes
mZ3+	1	1	primary	5

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