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 }
(0,1/2,0)' + set click here to show and hide
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 }
(1/2,0,0)' + set click here to show and hide
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 }
(1/2,1/2,0) + set click here to show and hide
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 }

[Hide]

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	0.25	0.375	0.25	8	m_x,0,m_z	-0.28	0.0	-0.09	0.26
Mn1_1	Mn	0	0.125	0.25	8	0,m_y,0	0.0	-1.61	0.0	1.61
Mn2_1	Mn	0.6293(5)	0.125	0.329(2)	16	m_x,m_y,m_z	0.61	-1.74	-0.22	1.88

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.0530(4)	0.125	0.6235(18)	16
Ba2_1	Ba	0.8238(4)	0.125	0.4600(18)	16
O1_1	O	0.9338(8)	0.125	0.3512(15)	16
O1_2	O	0.9410(9)	0.4854(15)	0.6269(13)	16
O1_3	O	0.9370(9)	0.2419(16)	0.1412(17)	16
O2_1	O	0.8141(8)	0.125	-0.0337(14)	16
O2_2	O	0.8153(10)	0.260(2)	0.707(2)	16
O2_3	O	0.8219(9)	0.010(2)	0.1996(19)	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	-0.28000	0.00000	-0.09000
2	0.75000	0.62500	0.75000	m_x,0,m_z	-0.28000	0.00000	-0.09000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.87500	0.25000	-m_x,0,-m_z	0.28000	0.00000	0.09000
4	0.75000	0.12500	0.75000	-m_x,0,-m_z	0.28000	0.00000	0.09000
(1/2,0,0)' + set click here to show and hide
5	0.75000	0.37500	0.25000	-m_x,0,-m_z	0.28000	0.00000	0.09000
6	0.25000	0.62500	0.75000	-m_x,0,-m_z	0.28000	0.00000	0.09000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.87500	0.25000	m_x,0,m_z	-0.28000	0.00000	-0.09000
8	0.25000	0.12500	0.75000	m_x,0,m_z	-0.28000	0.00000	-0.09000

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	-1.61000	0.00000
2	0.00000	0.87500	0.75000	0,m_y,0	0.00000	-1.61000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.62500	0.25000	0,-m_y,0	0.00000	1.61000	0.00000
4	0.00000	0.37500	0.75000	0,-m_y,0	0.00000	1.61000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.12500	0.25000	0,-m_y,0	0.00000	1.61000	0.00000
6	0.50000	0.87500	0.75000	0,-m_y,0	0.00000	1.61000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.62500	0.25000	0,m_y,0	0.00000	-1.61000	0.00000
8	0.50000	0.37500	0.75000	0,m_y,0	0.00000	-1.61000	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	0.62930	0.12500	0.32900	m_x,m_y,m_z	0.61000	-1.74000	-0.22000
2	0.37070	0.12500	0.17100	-m_x,m_y,-m_z	-0.61000	-1.74000	0.22000
3	0.37070	0.87500	0.67100	m_x,m_y,m_z	0.61000	-1.74000	-0.22000
4	0.62930	0.87500	0.82900	-m_x,m_y,-m_z	-0.61000	-1.74000	0.22000
(0,1/2,0)' + set click here to show and hide
5	0.62930	0.62500	0.32900	-m_x,-m_y,-m_z	-0.61000	1.74000	0.22000
6	0.37070	0.62500	0.17100	m_x,-m_y,m_z	0.61000	1.74000	-0.22000
7	0.37070	0.37500	0.67100	-m_x,-m_y,-m_z	-0.61000	1.74000	0.22000
8	0.62930	0.37500	0.82900	m_x,-m_y,m_z	0.61000	1.74000	-0.22000
(1/2,0,0)' + set click here to show and hide
9	0.12930	0.12500	0.32900	-m_x,-m_y,-m_z	-0.61000	1.74000	0.22000
10	0.87070	0.12500	0.17100	m_x,-m_y,m_z	0.61000	1.74000	-0.22000
11	0.87070	0.87500	0.67100	-m_x,-m_y,-m_z	-0.61000	1.74000	0.22000
12	0.12930	0.87500	0.82900	m_x,-m_y,m_z	0.61000	1.74000	-0.22000
(1/2,1/2,0) + set click here to show and hide
13	0.12930	0.62500	0.32900	m_x,m_y,m_z	0.61000	-1.74000	-0.22000
14	0.87070	0.62500	0.17100	-m_x,m_y,-m_z	-0.61000	-1.74000	0.22000
15	0.87070	0.37500	0.67100	m_x,m_y,m_z	0.61000	-1.74000	-0.22000
16	0.12930	0.37500	0.82900	-m_x,m_y,-m_z	-0.61000	-1.74000	0.22000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.05300	0.12500	0.62350
2	0.94700	0.12500	0.87650
3	0.94700	0.87500	0.37650
4	0.05300	0.87500	0.12350
(0,1/2,0)' + set click here to show and hide
5	0.05300	0.62500	0.62350
6	0.94700	0.62500	0.87650
7	0.94700	0.37500	0.37650
8	0.05300	0.37500	0.12350
(1/2,0,0)' + set click here to show and hide
9	0.55300	0.12500	0.62350
10	0.44700	0.12500	0.87650
11	0.44700	0.87500	0.37650
12	0.55300	0.87500	0.12350
(1/2,1/2,0) + set click here to show and hide
13	0.55300	0.62500	0.62350
14	0.44700	0.62500	0.87650
15	0.44700	0.37500	0.37650
16	0.55300	0.37500	0.12350

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

Atom	x	y	z
1	0.82380	0.12500	0.46000
2	0.17620	0.12500	0.04000
3	0.17620	0.87500	0.54000
4	0.82380	0.87500	0.96000
(0,1/2,0)' + set click here to show and hide
5	0.82380	0.62500	0.46000
6	0.17620	0.62500	0.04000
7	0.17620	0.37500	0.54000
8	0.82380	0.37500	0.96000
(1/2,0,0)' + set click here to show and hide
9	0.32380	0.12500	0.46000
10	0.67620	0.12500	0.04000
11	0.67620	0.87500	0.54000
12	0.32380	0.87500	0.96000
(1/2,1/2,0) + set click here to show and hide
13	0.32380	0.62500	0.46000
14	0.67620	0.62500	0.04000
15	0.67620	0.37500	0.54000
16	0.32380	0.37500	0.96000

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

Atom	x	y	z
1	0.93380	0.12500	0.35120
2	0.06620	0.12500	0.14880
3	0.06620	0.87500	0.64880
4	0.93380	0.87500	0.85120
(0,1/2,0)' + set click here to show and hide
5	0.93380	0.62500	0.35120
6	0.06620	0.62500	0.14880
7	0.06620	0.37500	0.64880
8	0.93380	0.37500	0.85120
(1/2,0,0)' + set click here to show and hide
9	0.43380	0.12500	0.35120
10	0.56620	0.12500	0.14880
11	0.56620	0.87500	0.64880
12	0.43380	0.87500	0.85120
(1/2,1/2,0) + set click here to show and hide
13	0.43380	0.62500	0.35120
14	0.56620	0.62500	0.14880
15	0.56620	0.37500	0.64880
16	0.43380	0.37500	0.85120

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

Atom	x	y	z
1	0.94100	0.48540	0.62690
2	0.05900	0.48540	0.87310
3	0.05900	0.51460	0.37310
4	0.94100	0.51460	0.12690
(0,1/2,0)' + set click here to show and hide
5	0.94100	0.98540	0.62690
6	0.05900	0.98540	0.87310
7	0.05900	0.01460	0.37310
8	0.94100	0.01460	0.12690
(1/2,0,0)' + set click here to show and hide
9	0.44100	0.48540	0.62690
10	0.55900	0.48540	0.87310
11	0.55900	0.51460	0.37310
12	0.44100	0.51460	0.12690
(1/2,1/2,0) + set click here to show and hide
13	0.44100	0.98540	0.62690
14	0.55900	0.98540	0.87310
15	0.55900	0.01460	0.37310
16	0.44100	0.01460	0.12690

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

Atom	x	y	z
1	0.93700	0.24190	0.14120
2	0.06300	0.24190	0.35880
3	0.06300	0.75810	0.85880
4	0.93700	0.75810	0.64120
(0,1/2,0)' + set click here to show and hide
5	0.93700	0.74190	0.14120
6	0.06300	0.74190	0.35880
7	0.06300	0.25810	0.85880
8	0.93700	0.25810	0.64120
(1/2,0,0)' + set click here to show and hide
9	0.43700	0.24190	0.14120
10	0.56300	0.24190	0.35880
11	0.56300	0.75810	0.85880
12	0.43700	0.75810	0.64120
(1/2,1/2,0) + set click here to show and hide
13	0.43700	0.74190	0.14120
14	0.56300	0.74190	0.35880
15	0.56300	0.25810	0.85880
16	0.43700	0.25810	0.64120

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

Atom	x	y	z
1	0.81410	0.12500	0.96630
2	0.18590	0.12500	0.53370
3	0.18590	0.87500	0.03370
4	0.81410	0.87500	0.46630
(0,1/2,0)' + set click here to show and hide
5	0.81410	0.62500	0.96630
6	0.18590	0.62500	0.53370
7	0.18590	0.37500	0.03370
8	0.81410	0.37500	0.46630
(1/2,0,0)' + set click here to show and hide
9	0.31410	0.12500	0.96630
10	0.68590	0.12500	0.53370
11	0.68590	0.87500	0.03370
12	0.31410	0.87500	0.46630
(1/2,1/2,0) + set click here to show and hide
13	0.31410	0.62500	0.96630
14	0.68590	0.62500	0.53370
15	0.68590	0.37500	0.03370
16	0.31410	0.37500	0.46630

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

Atom	x	y	z
1	0.81530	0.26000	0.70700
2	0.18470	0.26000	0.79300
3	0.18470	0.74000	0.29300
4	0.81530	0.74000	0.20700
(0,1/2,0)' + set click here to show and hide
5	0.81530	0.76000	0.70700
6	0.18470	0.76000	0.79300
7	0.18470	0.24000	0.29300
8	0.81530	0.24000	0.20700
(1/2,0,0)' + set click here to show and hide
9	0.31530	0.26000	0.70700
10	0.68470	0.26000	0.79300
11	0.68470	0.74000	0.29300
12	0.31530	0.74000	0.20700
(1/2,1/2,0) + set click here to show and hide
13	0.31530	0.76000	0.70700
14	0.68470	0.76000	0.79300
15	0.68470	0.24000	0.29300
16	0.31530	0.24000	0.20700

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

Atom	x	y	z
1	0.82190	0.01000	0.19960
2	0.17810	0.01000	0.30040
3	0.17810	0.99000	0.80040
4	0.82190	0.99000	0.69960
(0,1/2,0)' + set click here to show and hide
5	0.82190	0.51000	0.19960
6	0.17810	0.51000	0.30040
7	0.17810	0.49000	0.80040
8	0.82190	0.49000	0.69960
(1/2,0,0)' + set click here to show and hide
9	0.32190	0.01000	0.19960
10	0.67810	0.01000	0.30040
11	0.67810	0.99000	0.80040
12	0.32190	0.99000	0.69960
(1/2,1/2,0) + set click here to show and hide
13	0.32190	0.51000	0.19960
14	0.67810	0.51000	0.30040
15	0.67810	0.49000	0.80040
16	0.32190	0.49000	0.69960

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1_1	Pr	0.25	0.375	0.25	8	m_x,0,m_z	-0.28	0.0	-0.09	0.26
Mn1_1	Mn	0	0.125	0.25	8	0,m_y,0	0.0	-1.61	0.0	1.61
Mn2_1	Mn	0.6293(5)	0.125	0.329(2)	16	m_x,m_y,m_z	0.61	-1.74	-0.22	1.88

[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	-0.28000	0.00000	-0.09000
2	0.75000	0.62500	0.75000	m_x,0,m_z	-0.28000	0.00000	-0.09000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.87500	0.25000	-m_x,0,-m_z	0.28000	0.00000	0.09000
4	0.75000	0.12500	0.75000	-m_x,0,-m_z	0.28000	0.00000	0.09000
(1/2,0,0)' + set click here to show and hide
5	0.75000	0.37500	0.25000	-m_x,0,-m_z	0.28000	0.00000	0.09000
6	0.25000	0.62500	0.75000	-m_x,0,-m_z	0.28000	0.00000	0.09000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.87500	0.25000	m_x,0,m_z	-0.28000	0.00000	-0.09000
8	0.25000	0.12500	0.75000	m_x,0,m_z	-0.28000	0.00000	-0.09000

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	-1.61000	0.00000
2	0.00000	0.87500	0.75000	0,m_y,0	0.00000	-1.61000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.62500	0.25000	0,-m_y,0	0.00000	1.61000	0.00000
4	0.00000	0.37500	0.75000	0,-m_y,0	0.00000	1.61000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.12500	0.25000	0,-m_y,0	0.00000	1.61000	0.00000
6	0.50000	0.87500	0.75000	0,-m_y,0	0.00000	1.61000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.62500	0.25000	0,m_y,0	0.00000	-1.61000	0.00000
8	0.50000	0.37500	0.75000	0,m_y,0	0.00000	-1.61000	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	0.62930	0.12500	0.32900	m_x,m_y,m_z	0.61000	-1.74000	-0.22000
2	0.37070	0.12500	0.17100	-m_x,m_y,-m_z	-0.61000	-1.74000	0.22000
3	0.37070	0.87500	0.67100	m_x,m_y,m_z	0.61000	-1.74000	-0.22000
4	0.62930	0.87500	0.82900	-m_x,m_y,-m_z	-0.61000	-1.74000	0.22000
(0,1/2,0)' + set click here to show and hide
5	0.62930	0.62500	0.32900	-m_x,-m_y,-m_z	-0.61000	1.74000	0.22000
6	0.37070	0.62500	0.17100	m_x,-m_y,m_z	0.61000	1.74000	-0.22000
7	0.37070	0.37500	0.67100	-m_x,-m_y,-m_z	-0.61000	1.74000	0.22000
8	0.62930	0.37500	0.82900	m_x,-m_y,m_z	0.61000	1.74000	-0.22000
(1/2,0,0)' + set click here to show and hide
9	0.12930	0.12500	0.32900	-m_x,-m_y,-m_z	-0.61000	1.74000	0.22000
10	0.87070	0.12500	0.17100	m_x,-m_y,m_z	0.61000	1.74000	-0.22000
11	0.87070	0.87500	0.67100	-m_x,-m_y,-m_z	-0.61000	1.74000	0.22000
12	0.12930	0.87500	0.82900	m_x,-m_y,m_z	0.61000	1.74000	-0.22000
(1/2,1/2,0) + set click here to show and hide
13	0.12930	0.62500	0.32900	m_x,m_y,m_z	0.61000	-1.74000	-0.22000
14	0.87070	0.62500	0.17100	-m_x,m_y,-m_z	-0.61000	-1.74000	0.22000
15	0.87070	0.37500	0.67100	m_x,m_y,m_z	0.61000	-1.74000	-0.22000
16	0.12930	0.37500	0.82900	-m_x,m_y,-m_z	-0.61000	-1.74000	0.22000

[Hide]

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 (#1.816)

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

Ba4PrMn3O12 (#1.816)

Ba₄PrMn₃O₁₂ (#1.816)