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,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
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5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
7	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
8	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
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9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
11	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
12	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
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13	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
14	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
15	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
16	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 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	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	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\|
Pr1_1	Pr+3	0.25	0.375	0.25	8	m_x,0,m_z	-0.38	0.0	-0.12	0.36
Mn1_1	Mn+4	0	0.125	0.25	8	0,m_y,0	0.0	-1.72	0.0	1.72
Mn2_1	Mn+4	0.6280(5)	0.125	0.335(3)	16	m_x,m_y,m_z	0.46	-1.99	-0.44	2.12

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.0520(4)	0.125	0.618(3)	16
Ba2_1	Ba	0.8252(3)	0.125	0.467(2)	16
O1_1	O	0.9374(16)	0.125	0.355(3)	16
O1_2	O	0.9374(8)	0.4850(13)	0.6349(19)	16
O1_3	O	0.9374(8)	0.2351(13)	0.1349(19)	16
O2_1	O	0.8168(15)	0.125	-0.028(3)	16
O2_2	O	0.8168(7)	0.2577(14)	0.7060(18)	16
O2_3	O	0.8168(7)	0.0077(14)	0.2060(18)	16

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

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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.37500	0.25000	m_x,0,m_z	-0.38000	0.00000	-0.12000
2	0.75000	0.62500	0.75000	m_x,0,m_z	-0.38000	0.00000	-0.12000
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3	0.25000	0.87500	0.25000	-m_x,0,-m_z	0.38000	0.00000	0.12000
4	0.75000	0.12500	0.75000	-m_x,0,-m_z	0.38000	0.00000	0.12000
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5	0.75000	0.37500	0.25000	-m_x,0,-m_z	0.38000	0.00000	0.12000
6	0.25000	0.62500	0.75000	-m_x,0,-m_z	0.38000	0.00000	0.12000
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7	0.75000	0.87500	0.25000	m_x,0,m_z	-0.38000	0.00000	-0.12000
8	0.25000	0.12500	0.75000	m_x,0,m_z	-0.38000	0.00000	-0.12000

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	0.12500	0.25000	0,m_y,0	0.00000	-1.72000	0.00000
2	0.00000	0.87500	0.75000	0,m_y,0	0.00000	-1.72000	0.00000
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3	0.00000	0.62500	0.25000	0,-m_y,0	0.00000	1.72000	0.00000
4	0.00000	0.37500	0.75000	0,-m_y,0	0.00000	1.72000	0.00000
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5	0.50000	0.12500	0.25000	0,-m_y,0	0.00000	1.72000	0.00000
6	0.50000	0.87500	0.75000	0,-m_y,0	0.00000	1.72000	0.00000
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7	0.50000	0.62500	0.25000	0,m_y,0	0.00000	-1.72000	0.00000
8	0.50000	0.37500	0.75000	0,m_y,0	0.00000	-1.72000	0.00000

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	0.62800	0.12500	0.33500	m_x,m_y,m_z	0.46000	-1.99000	-0.44000
2	0.37200	0.12500	0.16500	-m_x,m_y,-m_z	-0.46000	-1.99000	0.44000
3	0.37200	0.87500	0.66500	m_x,m_y,m_z	0.46000	-1.99000	-0.44000
4	0.62800	0.87500	0.83500	-m_x,m_y,-m_z	-0.46000	-1.99000	0.44000
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5	0.62800	0.62500	0.33500	-m_x,-m_y,-m_z	-0.46000	1.99000	0.44000
6	0.37200	0.62500	0.16500	m_x,-m_y,m_z	0.46000	1.99000	-0.44000
7	0.37200	0.37500	0.66500	-m_x,-m_y,-m_z	-0.46000	1.99000	0.44000
8	0.62800	0.37500	0.83500	m_x,-m_y,m_z	0.46000	1.99000	-0.44000
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9	0.12800	0.12500	0.33500	-m_x,-m_y,-m_z	-0.46000	1.99000	0.44000
10	0.87200	0.12500	0.16500	m_x,-m_y,m_z	0.46000	1.99000	-0.44000
11	0.87200	0.87500	0.66500	-m_x,-m_y,-m_z	-0.46000	1.99000	0.44000
12	0.12800	0.87500	0.83500	m_x,-m_y,m_z	0.46000	1.99000	-0.44000
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13	0.12800	0.62500	0.33500	m_x,m_y,m_z	0.46000	-1.99000	-0.44000
14	0.87200	0.62500	0.16500	-m_x,m_y,-m_z	-0.46000	-1.99000	0.44000
15	0.87200	0.37500	0.66500	m_x,m_y,m_z	0.46000	-1.99000	-0.44000
16	0.12800	0.37500	0.83500	-m_x,m_y,-m_z	-0.46000	-1.99000	0.44000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

Atom	x	y	z
1	0.05200	0.12500	0.61800
2	0.94800	0.12500	0.88200
3	0.94800	0.87500	0.38200
4	0.05200	0.87500	0.11800
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5	0.05200	0.62500	0.61800
6	0.94800	0.62500	0.88200
7	0.94800	0.37500	0.38200
8	0.05200	0.37500	0.11800
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9	0.55200	0.12500	0.61800
10	0.44800	0.12500	0.88200
11	0.44800	0.87500	0.38200
12	0.55200	0.87500	0.11800
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13	0.55200	0.62500	0.61800
14	0.44800	0.62500	0.88200
15	0.44800	0.37500	0.38200
16	0.55200	0.37500	0.11800

Set of atoms in the unit cell related by symmetry with the atom Ba2_1:

Atom	x	y	z
1	0.82520	0.12500	0.46700
2	0.17480	0.12500	0.03300
3	0.17480	0.87500	0.53300
4	0.82520	0.87500	0.96700
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5	0.82520	0.62500	0.46700
6	0.17480	0.62500	0.03300
7	0.17480	0.37500	0.53300
8	0.82520	0.37500	0.96700
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9	0.32520	0.12500	0.46700
10	0.67480	0.12500	0.03300
11	0.67480	0.87500	0.53300
12	0.32520	0.87500	0.96700
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13	0.32520	0.62500	0.46700
14	0.67480	0.62500	0.03300
15	0.67480	0.37500	0.53300
16	0.32520	0.37500	0.96700

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

Atom	x	y	z
1	0.93740	0.12500	0.35500
2	0.06260	0.12500	0.14500
3	0.06260	0.87500	0.64500
4	0.93740	0.87500	0.85500
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5	0.93740	0.62500	0.35500
6	0.06260	0.62500	0.14500
7	0.06260	0.37500	0.64500
8	0.93740	0.37500	0.85500
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9	0.43740	0.12500	0.35500
10	0.56260	0.12500	0.14500
11	0.56260	0.87500	0.64500
12	0.43740	0.87500	0.85500
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13	0.43740	0.62500	0.35500
14	0.56260	0.62500	0.14500
15	0.56260	0.37500	0.64500
16	0.43740	0.37500	0.85500

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

Atom	x	y	z
1	0.93740	0.48500	0.63490
2	0.06260	0.48500	0.86510
3	0.06260	0.51500	0.36510
4	0.93740	0.51500	0.13490
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5	0.93740	0.98500	0.63490
6	0.06260	0.98500	0.86510
7	0.06260	0.01500	0.36510
8	0.93740	0.01500	0.13490
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9	0.43740	0.48500	0.63490
10	0.56260	0.48500	0.86510
11	0.56260	0.51500	0.36510
12	0.43740	0.51500	0.13490
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13	0.43740	0.98500	0.63490
14	0.56260	0.98500	0.86510
15	0.56260	0.01500	0.36510
16	0.43740	0.01500	0.13490

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.93740	0.23510	0.13490
2	0.06260	0.23510	0.36510
3	0.06260	0.76490	0.86510
4	0.93740	0.76490	0.63490
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5	0.93740	0.73510	0.13490
6	0.06260	0.73510	0.36510
7	0.06260	0.26490	0.86510
8	0.93740	0.26490	0.63490
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9	0.43740	0.23510	0.13490
10	0.56260	0.23510	0.36510
11	0.56260	0.76490	0.86510
12	0.43740	0.76490	0.63490
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13	0.43740	0.73510	0.13490
14	0.56260	0.73510	0.36510
15	0.56260	0.26490	0.86510
16	0.43740	0.26490	0.63490

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

Atom	x	y	z
1	0.81680	0.12500	0.97200
2	0.18320	0.12500	0.52800
3	0.18320	0.87500	0.02800
4	0.81680	0.87500	0.47200
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5	0.81680	0.62500	0.97200
6	0.18320	0.62500	0.52800
7	0.18320	0.37500	0.02800
8	0.81680	0.37500	0.47200
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9	0.31680	0.12500	0.97200
10	0.68320	0.12500	0.52800
11	0.68320	0.87500	0.02800
12	0.31680	0.87500	0.47200
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13	0.31680	0.62500	0.97200
14	0.68320	0.62500	0.52800
15	0.68320	0.37500	0.02800
16	0.31680	0.37500	0.47200

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

Atom	x	y	z
1	0.81680	0.25770	0.70600
2	0.18320	0.25770	0.79400
3	0.18320	0.74230	0.29400
4	0.81680	0.74230	0.20600
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5	0.81680	0.75770	0.70600
6	0.18320	0.75770	0.79400
7	0.18320	0.24230	0.29400
8	0.81680	0.24230	0.20600
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9	0.31680	0.25770	0.70600
10	0.68320	0.25770	0.79400
11	0.68320	0.74230	0.29400
12	0.31680	0.74230	0.20600
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13	0.31680	0.75770	0.70600
14	0.68320	0.75770	0.79400
15	0.68320	0.24230	0.29400
16	0.31680	0.24230	0.20600

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.81680	0.00770	0.20600
2	0.18320	0.00770	0.29400
3	0.18320	0.99230	0.79400
4	0.81680	0.99230	0.70600
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5	0.81680	0.50770	0.20600
6	0.18320	0.50770	0.29400
7	0.18320	0.49230	0.79400
8	0.81680	0.49230	0.70600
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9	0.31680	0.00770	0.20600
10	0.68320	0.00770	0.29400
11	0.68320	0.99230	0.79400
12	0.31680	0.99230	0.70600
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13	0.31680	0.50770	0.20600
14	0.68320	0.50770	0.29400
15	0.68320	0.49230	0.79400
16	0.31680	0.49230	0.70600

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1_1	Pr+3	0.25	0.375	0.25	8	m_x,0,m_z	-0.38	0.0	-0.12	0.36
Mn1_1	Mn+4	0	0.125	0.25	8	0,m_y,0	0.0	-1.72	0.0	1.72
Mn2_1	Mn+4	0.6280(5)	0.125	0.335(3)	16	m_x,m_y,m_z	0.46	-1.99	-0.44	2.12

[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 Pr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.37500	0.25000	m_x,0,m_z	-0.38000	0.00000	-0.12000
2	0.75000	0.62500	0.75000	m_x,0,m_z	-0.38000	0.00000	-0.12000
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3	0.25000	0.87500	0.25000	-m_x,0,-m_z	0.38000	0.00000	0.12000
4	0.75000	0.12500	0.75000	-m_x,0,-m_z	0.38000	0.00000	0.12000
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5	0.75000	0.37500	0.25000	-m_x,0,-m_z	0.38000	0.00000	0.12000
6	0.25000	0.62500	0.75000	-m_x,0,-m_z	0.38000	0.00000	0.12000
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7	0.75000	0.87500	0.25000	m_x,0,m_z	-0.38000	0.00000	-0.12000
8	0.25000	0.12500	0.75000	m_x,0,m_z	-0.38000	0.00000	-0.12000

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	0.12500	0.25000	0,m_y,0	0.00000	-1.72000	0.00000
2	0.00000	0.87500	0.75000	0,m_y,0	0.00000	-1.72000	0.00000
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3	0.00000	0.62500	0.25000	0,-m_y,0	0.00000	1.72000	0.00000
4	0.00000	0.37500	0.75000	0,-m_y,0	0.00000	1.72000	0.00000
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5	0.50000	0.12500	0.25000	0,-m_y,0	0.00000	1.72000	0.00000
6	0.50000	0.87500	0.75000	0,-m_y,0	0.00000	1.72000	0.00000
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7	0.50000	0.62500	0.25000	0,m_y,0	0.00000	-1.72000	0.00000
8	0.50000	0.37500	0.75000	0,m_y,0	0.00000	-1.72000	0.00000

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	0.62800	0.12500	0.33500	m_x,m_y,m_z	0.46000	-1.99000	-0.44000
2	0.37200	0.12500	0.16500	-m_x,m_y,-m_z	-0.46000	-1.99000	0.44000
3	0.37200	0.87500	0.66500	m_x,m_y,m_z	0.46000	-1.99000	-0.44000
4	0.62800	0.87500	0.83500	-m_x,m_y,-m_z	-0.46000	-1.99000	0.44000
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5	0.62800	0.62500	0.33500	-m_x,-m_y,-m_z	-0.46000	1.99000	0.44000
6	0.37200	0.62500	0.16500	m_x,-m_y,m_z	0.46000	1.99000	-0.44000
7	0.37200	0.37500	0.66500	-m_x,-m_y,-m_z	-0.46000	1.99000	0.44000
8	0.62800	0.37500	0.83500	m_x,-m_y,m_z	0.46000	1.99000	-0.44000
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9	0.12800	0.12500	0.33500	-m_x,-m_y,-m_z	-0.46000	1.99000	0.44000
10	0.87200	0.12500	0.16500	m_x,-m_y,m_z	0.46000	1.99000	-0.44000
11	0.87200	0.87500	0.66500	-m_x,-m_y,-m_z	-0.46000	1.99000	0.44000
12	0.12800	0.87500	0.83500	m_x,-m_y,m_z	0.46000	1.99000	-0.44000
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13	0.12800	0.62500	0.33500	m_x,m_y,m_z	0.46000	-1.99000	-0.44000
14	0.87200	0.62500	0.16500	-m_x,m_y,-m_z	-0.46000	-1.99000	0.44000
15	0.87200	0.37500	0.66500	m_x,m_y,m_z	0.46000	-1.99000	-0.44000
16	0.12800	0.37500	0.83500	-m_x,m_y,-m_z	-0.46000	-1.99000	0.44000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mY2	6	1	special-2	primary	6

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

Ba₄PrMn₃O₁₂ (#1.817)

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

Ba4PrMn3O12 (#1.817)

Ba₄PrMn₃O₁₂ (#1.817)