MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
4	-x,y,z,+1	{ m₁₀₀ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	x,-y,z,+1	m₀₁₀
4	-x,y,z,+1	m₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0	0.492	0.8646	2	m_x,0,0	-2.31	0.0	0.0	2.31
Mn1_2	Mn	0.25	0.492	0.8646	4	m_x,m_y,m_z	-2.31	3.26	-1.57	4.29
Mn1_3	Mn	0.5	0.492	0.8646	2	m_x,0,0	-2.31	0.0	0.0	2.31
Mn2_1	Mn	-0.125	0.998	0.1027	4	m_x,m_y,m_z	2.31	3.58	1.11	4.40
Mn2_2	Mn	0.375	0.998	0.1027	4	m_x,m_y,m_z	2.31	-3.58	-1.11	4.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pb1_1	Pb	0.0657	0.9746	0.8653	4
Pb1_2	Pb	0.3157	0.9746	0.8653	4
Pb1_3	Pb	0.5657	0.9746	0.8653	4
Pb1_4	Pb	0.8157	0.9746	0.8653	4
Pb2_1	Pb	0.06155	0.5477	0.5786	4
Pb2_2	Pb	0.31155	0.5477	0.5786	4
Pb2_3	Pb	0.56155	0.5477	0.5786	4
Pb2_4	Pb	0.81155	0.5477	0.5786	4
W1_1	W	-0.125	0.522	0.8644	4
W1_2	W	0.375	0.522	0.8644	4
W2_1	W	0	0.001	0.6117	2
W2_2	W	0.25	0.001	0.6117	4
W2_3	W	0.5	0.001	0.6117	2
O1_1	O	-0.125	0.724	0.73	4
O1_3	O	0.375	0.724	0.73	4
O2_1	O	-0.125	0.311	0.973	4
O2_3	O	0.375	0.311	0.973	4
O3_1	O	0	0.767	0.7103	2
O3_2	O	0.25	0.767	0.7103	4
O3_3	O	0.5	0.767	0.7103	2
O4_1	O	0	0.222	0.721	2
O4_2	O	0.25	0.222	0.721	4
O4_3	O	0.5	0.222	0.721	2
O5_1	O	-0.125	0.249	0.7442	4
O5_3	O	0.375	0.249	0.7442	4
O6_1	O	0	0.209	0.477	2
O6_2	O	0.25	0.209	0.477	4
O6_3	O	0.5	0.209	0.477	2
O7_1	O	0.0596	0.0361	0.5956	4
O7_2	O	0.3096	0.0361	0.5956	4
O7_3	O	0.5596	0.0361	0.5956	4
O7-4	O	0.8096	0.0361	0.5956	4
O8_1	O	0	0.294	0.9958	2
O8_2	O	0.25	0.294	0.9958	4
O8_3	O	0.5	0.294	0.9958	2
O9_1	O	0.066675	0.52	0.8655	4
O9_2	O	0.316675	0.52	0.8655	4
O9_3	O	0.566675	0.52	0.8655	4
O9_4	O	0.816675	0.52	0.8655	4
O10_1	O	-0.125	0.786	0.9568	4
O10_2	O	0.375	0.786	0.9568	4

[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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.49200	0.86460	m_x,0,0	-2.31000	0.00000	0.00000
2	0.50000	0.50800	0.36460	-m_x,0,0	2.31000	0.00000	0.00000

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	0.25000	0.49200	0.86460	m_x,m_y,m_z	-2.31000	3.26000	-1.57000
2	0.25000	0.50800	0.36460	-m_x,-m_y,m_z	2.31000	-3.26000	-1.57000
3	0.75000	0.50800	0.36460	-m_x,m_y,-m_z	2.31000	3.26000	1.57000
4	0.75000	0.49200	0.86460	m_x,-m_y,-m_z	-2.31000	-3.26000	1.57000

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	0.50000	0.49200	0.86460	m_x,0,0	-2.31000	0.00000	0.00000
2	0.00000	0.50800	0.36460	-m_x,0,0	2.31000	0.00000	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	0.87500	0.99800	0.10270	m_x,m_y,m_z	2.31000	3.58000	1.11000
2	0.62500	0.00200	0.60270	-m_x,-m_y,m_z	-2.31000	-3.58000	1.11000
3	0.37500	0.00200	0.60270	-m_x,m_y,-m_z	-2.31000	3.58000	-1.11000
4	0.12500	0.99800	0.10270	m_x,-m_y,-m_z	2.31000	-3.58000	-1.11000

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	0.37500	0.99800	0.10270	m_x,m_y,m_z	2.31000	-3.58000	-1.11000
2	0.12500	0.00200	0.60270	-m_x,-m_y,m_z	-2.31000	3.58000	-1.11000
3	0.87500	0.00200	0.60270	-m_x,m_y,-m_z	-2.31000	-3.58000	1.11000
4	0.62500	0.99800	0.10270	m_x,-m_y,-m_z	2.31000	3.58000	1.11000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pb1_1:

Atom	x	y	z
1	0.06570	0.97460	0.86530
2	0.43430	0.02540	0.36530
3	0.56570	0.02540	0.36530
4	0.93430	0.97460	0.86530

Set of atoms in the unit cell related by symmetry with the atom Pb1_2:

Atom	x	y	z
1	0.31570	0.97460	0.86530
2	0.18430	0.02540	0.36530
3	0.81570	0.02540	0.36530
4	0.68430	0.97460	0.86530

Set of atoms in the unit cell related by symmetry with the atom Pb1_3:

Atom	x	y	z
1	0.56570	0.97460	0.86530
2	0.93430	0.02540	0.36530
3	0.06570	0.02540	0.36530
4	0.43430	0.97460	0.86530

Set of atoms in the unit cell related by symmetry with the atom Pb1_4:

Atom	x	y	z
1	0.81570	0.97460	0.86530
2	0.68430	0.02540	0.36530
3	0.31570	0.02540	0.36530
4	0.18430	0.97460	0.86530

Set of atoms in the unit cell related by symmetry with the atom Pb2_1:

Atom	x	y	z
1	0.06155	0.54770	0.57860
2	0.43845	0.45230	0.07860
3	0.56155	0.45230	0.07860
4	0.93845	0.54770	0.57860

Set of atoms in the unit cell related by symmetry with the atom Pb2_2:

Atom	x	y	z
1	0.31155	0.54770	0.57860
2	0.18845	0.45230	0.07860
3	0.81155	0.45230	0.07860
4	0.68845	0.54770	0.57860

Set of atoms in the unit cell related by symmetry with the atom Pb2_3:

Atom	x	y	z
1	0.56155	0.54770	0.57860
2	0.93845	0.45230	0.07860
3	0.06155	0.45230	0.07860
4	0.43845	0.54770	0.57860

Set of atoms in the unit cell related by symmetry with the atom Pb2_4:

Atom	x	y	z
1	0.81155	0.54770	0.57860
2	0.68845	0.45230	0.07860
3	0.31155	0.45230	0.07860
4	0.18845	0.54770	0.57860

Set of atoms in the unit cell related by symmetry with the atom W1_1:

Atom	x	y	z
1	0.87500	0.52200	0.86440
2	0.62500	0.47800	0.36440
3	0.37500	0.47800	0.36440
4	0.12500	0.52200	0.86440

Set of atoms in the unit cell related by symmetry with the atom W1_2:

Atom	x	y	z
1	0.37500	0.52200	0.86440
2	0.12500	0.47800	0.36440
3	0.87500	0.47800	0.36440
4	0.62500	0.52200	0.86440

Set of atoms in the unit cell related by symmetry with the atom W2_1:

Atom	x	y	z
1	0.00000	0.00100	0.61170
2	0.50000	0.99900	0.11170

Set of atoms in the unit cell related by symmetry with the atom W2_2:

Atom	x	y	z
1	0.25000	0.00100	0.61170
2	0.25000	0.99900	0.11170
3	0.75000	0.99900	0.11170
4	0.75000	0.00100	0.61170

Set of atoms in the unit cell related by symmetry with the atom W2_3:

Atom	x	y	z
1	0.50000	0.00100	0.61170
2	0.00000	0.99900	0.11170

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

Atom	x	y	z
1	0.87500	0.72400	0.73000
2	0.62500	0.27600	0.23000
3	0.37500	0.27600	0.23000
4	0.12500	0.72400	0.73000

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

Atom	x	y	z
1	0.37500	0.72400	0.73000
2	0.12500	0.27600	0.23000
3	0.87500	0.27600	0.23000
4	0.62500	0.72400	0.73000

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

Atom	x	y	z
1	0.87500	0.31100	0.97300
2	0.62500	0.68900	0.47300
3	0.37500	0.68900	0.47300
4	0.12500	0.31100	0.97300

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

Atom	x	y	z
1	0.37500	0.31100	0.97300
2	0.12500	0.68900	0.47300
3	0.87500	0.68900	0.47300
4	0.62500	0.31100	0.97300

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.00000	0.76700	0.71030
2	0.50000	0.23300	0.21030

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.25000	0.76700	0.71030
2	0.25000	0.23300	0.21030
3	0.75000	0.23300	0.21030
4	0.75000	0.76700	0.71030

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.50000	0.76700	0.71030
2	0.00000	0.23300	0.21030

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.00000	0.22200	0.72100
2	0.50000	0.77800	0.22100

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.25000	0.22200	0.72100
2	0.25000	0.77800	0.22100
3	0.75000	0.77800	0.22100
4	0.75000	0.22200	0.72100

Set of atoms in the unit cell related by symmetry with the atom O4_3:

Atom	x	y	z
1	0.50000	0.22200	0.72100
2	0.00000	0.77800	0.22100

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.87500	0.24900	0.74420
2	0.62500	0.75100	0.24420
3	0.37500	0.75100	0.24420
4	0.12500	0.24900	0.74420

Set of atoms in the unit cell related by symmetry with the atom O5_3:

Atom	x	y	z
1	0.37500	0.24900	0.74420
2	0.12500	0.75100	0.24420
3	0.87500	0.75100	0.24420
4	0.62500	0.24900	0.74420

Set of atoms in the unit cell related by symmetry with the atom O6_1:

Atom	x	y	z
1	0.00000	0.20900	0.47700
2	0.50000	0.79100	0.97700

Set of atoms in the unit cell related by symmetry with the atom O6_2:

Atom	x	y	z
1	0.25000	0.20900	0.47700
2	0.25000	0.79100	0.97700
3	0.75000	0.79100	0.97700
4	0.75000	0.20900	0.47700

Set of atoms in the unit cell related by symmetry with the atom O6_3:

Atom	x	y	z
1	0.50000	0.20900	0.47700
2	0.00000	0.79100	0.97700

Set of atoms in the unit cell related by symmetry with the atom O7_1:

Atom	x	y	z
1	0.05960	0.03610	0.59560
2	0.44040	0.96390	0.09560
3	0.55960	0.96390	0.09560
4	0.94040	0.03610	0.59560

Set of atoms in the unit cell related by symmetry with the atom O7_2:

Atom	x	y	z
1	0.30960	0.03610	0.59560
2	0.19040	0.96390	0.09560
3	0.80960	0.96390	0.09560
4	0.69040	0.03610	0.59560

Set of atoms in the unit cell related by symmetry with the atom O7_3:

Atom	x	y	z
1	0.55960	0.03610	0.59560
2	0.94040	0.96390	0.09560
3	0.05960	0.96390	0.09560
4	0.44040	0.03610	0.59560

Set of atoms in the unit cell related by symmetry with the atom O7-4:

Atom	x	y	z
1	0.80960	0.03610	0.59560
2	0.69040	0.96390	0.09560
3	0.30960	0.96390	0.09560
4	0.19040	0.03610	0.59560

Set of atoms in the unit cell related by symmetry with the atom O8_1:

Atom	x	y	z
1	0.00000	0.29400	0.99580
2	0.50000	0.70600	0.49580

Set of atoms in the unit cell related by symmetry with the atom O8_2:

Atom	x	y	z
1	0.25000	0.29400	0.99580
2	0.25000	0.70600	0.49580
3	0.75000	0.70600	0.49580
4	0.75000	0.29400	0.99580

Set of atoms in the unit cell related by symmetry with the atom O8_3:

Atom	x	y	z
1	0.50000	0.29400	0.99580
2	0.00000	0.70600	0.49580

Set of atoms in the unit cell related by symmetry with the atom O9_1:

Atom	x	y	z
1	0.06667	0.52000	0.86550
2	0.43333	0.48000	0.36550
3	0.56668	0.48000	0.36550
4	0.93332	0.52000	0.86550

Set of atoms in the unit cell related by symmetry with the atom O9_2:

Atom	x	y	z
1	0.31667	0.52000	0.86550
2	0.18333	0.48000	0.36550
3	0.81668	0.48000	0.36550
4	0.68332	0.52000	0.86550

Set of atoms in the unit cell related by symmetry with the atom O9_3:

Atom	x	y	z
1	0.56668	0.52000	0.86550
2	0.93332	0.48000	0.36550
3	0.06668	0.48000	0.36550
4	0.43332	0.52000	0.86550

Set of atoms in the unit cell related by symmetry with the atom O9_4:

Atom	x	y	z
1	0.81668	0.52000	0.86550
2	0.68332	0.48000	0.36550
3	0.31668	0.48000	0.36550
4	0.18332	0.52000	0.86550

Set of atoms in the unit cell related by symmetry with the atom O10_1:

Atom	x	y	z
1	0.87500	0.78600	0.95680
2	0.62500	0.21400	0.45680
3	0.37500	0.21400	0.45680
4	0.12500	0.78600	0.95680

Set of atoms in the unit cell related by symmetry with the atom O10_2:

Atom	x	y	z
1	0.37500	0.78600	0.95680
2	0.12500	0.21400	0.45680
3	0.87500	0.21400	0.45680
4	0.62500	0.78600	0.95680

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0	0.492	0.8646	2	m_x,0,0	-2.31	0.0	0.0	2.31
Mn1_2	Mn	0.25	0.492	0.8646	4	m_x,m_y,m_z	-2.31	3.26	-1.57	4.29
Mn1_3	Mn	0.5	0.492	0.8646	2	m_x,0,0	-2.31	0.0	0.0	2.31
Mn2_1	Mn	-0.125	0.998	0.1027	4	m_x,m_y,m_z	2.31	3.58	1.11	4.40
Mn2_2	Mn	0.375	0.998	0.1027	4	m_x,m_y,m_z	2.31	-3.58	-1.11	4.40

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

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

Pb₂MnWO₆ (#2.38)

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mSM2	2	1	special	primary	6
mGM1	1	1		primary	2
mX4	1	1		secondary	3	no

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

Pb2MnWO6 (#2.38)

Pb₂MnWO₆ (#2.38)