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+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
(1/2,0,1/2) + set click here to show and hide
3	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
4	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	x+1/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 1/4 1/2 1/4 }
(0,0,1/2)' + set click here to show and hide
7	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
8	x+3/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 3/4 1/2 3/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	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\|
Co1	Co	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	-0.77	0.0	1.89	2.04
Os1	Os	0.00000	0.00000	0.25000	8	m_x,m_y,m_z	-0.77	0.0	1.89	2.04

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pb1_1	Pb	0.00295	0.51270	0.12520	8
Pb1_2	Pb	0.24705	0.01270	0.12480	8
O1_1	O	0.46605	0.99120	0.12960	8
O1_2	O	0.78395	0.49120	0.12040	8
O2_1	O	0.12065	0.28100	0.01810	8
O2_2	O	0.12935	0.78100	0.23190	8
O3_1	O	0.14170	0.76510	0.01825	8
O3_2	O	0.10830	0.26510	0.23175	8

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 Co1:

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	-0.77000	0.00000	1.89000
2	0.75000	0.50000	0.25000	-m_x,m_y,-m_z	0.77000	0.00000	-1.89000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,m_z	-0.77000	0.00000	1.89000
4	0.25000	0.50000	0.75000	-m_x,m_y,-m_z	0.77000	0.00000	-1.89000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.77000	0.00000	-1.89000
6	0.25000	0.50000	0.25000	m_x,-m_y,m_z	-0.77000	0.00000	1.89000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.77000	0.00000	-1.89000
8	0.75000	0.50000	0.75000	m_x,-m_y,m_z	-0.77000	0.00000	1.89000

Set of atoms in the unit cell related by symmetry with the magnetic atom Os1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,m_y,m_z	-0.77000	0.00000	1.89000
2	0.75000	0.50000	0.50000	-m_x,m_y,-m_z	0.77000	0.00000	-1.89000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	m_x,m_y,m_z	-0.77000	0.00000	1.89000
4	0.25000	0.50000	0.00000	-m_x,m_y,-m_z	0.77000	0.00000	-1.89000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.25000	-m_x,-m_y,-m_z	0.77000	0.00000	-1.89000
6	0.25000	0.50000	0.50000	m_x,-m_y,m_z	-0.77000	0.00000	1.89000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.75000	-m_x,-m_y,-m_z	0.77000	0.00000	-1.89000
8	0.75000	0.50000	0.00000	m_x,-m_y,m_z	-0.77000	0.00000	1.89000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00295	0.51270	0.12520
2	0.75295	0.98730	0.37520
(1/2,0,1/2) + set click here to show and hide
3	0.50295	0.51270	0.62520
4	0.25295	0.98730	0.87520
(1/2,0,0)' + set click here to show and hide
5	0.50295	0.51270	0.12520
6	0.25295	0.98730	0.37520
(0,0,1/2)' + set click here to show and hide
7	0.00295	0.51270	0.62520
8	0.75295	0.98730	0.87520

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

Atom	x	y	z
1	0.24705	0.01270	0.12480
2	0.99705	0.48730	0.37480
(1/2,0,1/2) + set click here to show and hide
3	0.74705	0.01270	0.62480
4	0.49705	0.48730	0.87480
(1/2,0,0)' + set click here to show and hide
5	0.74705	0.01270	0.12480
6	0.49705	0.48730	0.37480
(0,0,1/2)' + set click here to show and hide
7	0.24705	0.01270	0.62480
8	0.99705	0.48730	0.87480

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

Atom	x	y	z
1	0.46605	0.99120	0.12960
2	0.21605	0.50880	0.37960
(1/2,0,1/2) + set click here to show and hide
3	0.96605	0.99120	0.62960
4	0.71605	0.50880	0.87960
(1/2,0,0)' + set click here to show and hide
5	0.96605	0.99120	0.12960
6	0.71605	0.50880	0.37960
(0,0,1/2)' + set click here to show and hide
7	0.46605	0.99120	0.62960
8	0.21605	0.50880	0.87960

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

Atom	x	y	z
1	0.78395	0.49120	0.12040
2	0.53395	0.00880	0.37040
(1/2,0,1/2) + set click here to show and hide
3	0.28395	0.49120	0.62040
4	0.03395	0.00880	0.87040
(1/2,0,0)' + set click here to show and hide
5	0.28395	0.49120	0.12040
6	0.03395	0.00880	0.37040
(0,0,1/2)' + set click here to show and hide
7	0.78395	0.49120	0.62040
8	0.53395	0.00880	0.87040

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

Atom	x	y	z
1	0.12065	0.28100	0.01810
2	0.87065	0.21900	0.26810
(1/2,0,1/2) + set click here to show and hide
3	0.62065	0.28100	0.51810
4	0.37065	0.21900	0.76810
(1/2,0,0)' + set click here to show and hide
5	0.62065	0.28100	0.01810
6	0.37065	0.21900	0.26810
(0,0,1/2)' + set click here to show and hide
7	0.12065	0.28100	0.51810
8	0.87065	0.21900	0.76810

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

Atom	x	y	z
1	0.12935	0.78100	0.23190
2	0.87935	0.71900	0.48190
(1/2,0,1/2) + set click here to show and hide
3	0.62935	0.78100	0.73190
4	0.37935	0.71900	0.98190
(1/2,0,0)' + set click here to show and hide
5	0.62935	0.78100	0.23190
6	0.37935	0.71900	0.48190
(0,0,1/2)' + set click here to show and hide
7	0.12935	0.78100	0.73190
8	0.87935	0.71900	0.98190

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

Atom	x	y	z
1	0.14170	0.76510	0.01825
2	0.89170	0.73490	0.26825
(1/2,0,1/2) + set click here to show and hide
3	0.64170	0.76510	0.51825
4	0.39170	0.73490	0.76825
(1/2,0,0)' + set click here to show and hide
5	0.64170	0.76510	0.01825
6	0.39170	0.73490	0.26825
(0,0,1/2)' + set click here to show and hide
7	0.14170	0.76510	0.51825
8	0.89170	0.73490	0.76825

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

Atom	x	y	z
1	0.10830	0.26510	0.23175
2	0.85830	0.23490	0.48175
(1/2,0,1/2) + set click here to show and hide
3	0.60830	0.26510	0.73175
4	0.35830	0.23490	0.98175
(1/2,0,0)' + set click here to show and hide
5	0.60830	0.26510	0.23175
6	0.35830	0.23490	0.48175
(0,0,1/2)' + set click here to show and hide
7	0.10830	0.26510	0.73175
8	0.85830	0.23490	0.98175

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	-0.77	0.0	1.89	2.04
Os1	Os	0.00000	0.00000	0.25000	8	m_x,m_y,m_z	-0.77	0.0	1.89	2.04

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