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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.00000	1.	8	m_x,m_y,m_z	0.0	0.0	1.90(1)	1.90
Os1	Os	0.00000	0.00000	0.25000	1.	8	m_x,m_y,m_z	0.0	0.0	-0.378(2)	0.38

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Pb1_1	Pb	0.00150	0.51610	0.12415	0.97	8
Pb1_2	Pb	0.24850	0.01610	0.12585	0.97	8
O1_1	O	0.46765	0.98960	0.13070	0.988	8
O1_2	O	0.78235	0.48960	0.11930	0.988	8
O2_1	O	0.11575	0.28500	0.01640	0.948	8
O2_2	O	0.13425	0.78500	0.23360	0.948	8
O3_1	O	0.14315	0.76940	0.01690	1.013	8
O3_2	O	0.10685	0.26940	0.23310	1.013	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 Ni1:

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	0.00000	0.00000	1.90000
2	0.75000	0.50000	0.25000	-m_x,m_y,-m_z	0.00000	0.00000	-1.90000
(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	0.00000	0.00000	1.90000
4	0.25000	0.50000	0.75000	-m_x,m_y,-m_z	0.00000	0.00000	-1.90000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-1.90000
6	0.25000	0.50000	0.25000	m_x,-m_y,m_z	0.00000	0.00000	1.90000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	0.00000	-1.90000
8	0.75000	0.50000	0.75000	m_x,-m_y,m_z	0.00000	0.00000	1.90000

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	0.00000	0.00000	-0.37800
2	0.75000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	0.37800
(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	0.00000	0.00000	-0.37800
4	0.25000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	0.00000	0.37800
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.25000	-m_x,-m_y,-m_z	0.00000	0.00000	0.37800
6	0.25000	0.50000	0.50000	m_x,-m_y,m_z	0.00000	0.00000	-0.37800
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.75000	-m_x,-m_y,-m_z	0.00000	0.00000	0.37800
8	0.75000	0.50000	0.00000	m_x,-m_y,m_z	0.00000	0.00000	-0.37800

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00150	0.51610	0.12415
2	0.75150	0.98390	0.37415
(1/2,0,1/2) + set click here to show and hide
3	0.50150	0.51610	0.62415
4	0.25150	0.98390	0.87415
(1/2,0,0)' + set click here to show and hide
5	0.50150	0.51610	0.12415
6	0.25150	0.98390	0.37415
(0,0,1/2)' + set click here to show and hide
7	0.00150	0.51610	0.62415
8	0.75150	0.98390	0.87415

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

Atom	x	y	z
1	0.24850	0.01610	0.12585
2	0.99850	0.48390	0.37585
(1/2,0,1/2) + set click here to show and hide
3	0.74850	0.01610	0.62585
4	0.49850	0.48390	0.87585
(1/2,0,0)' + set click here to show and hide
5	0.74850	0.01610	0.12585
6	0.49850	0.48390	0.37585
(0,0,1/2)' + set click here to show and hide
7	0.24850	0.01610	0.62585
8	0.99850	0.48390	0.87585

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

Atom	x	y	z
1	0.46765	0.98960	0.13070
2	0.21765	0.51040	0.38070
(1/2,0,1/2) + set click here to show and hide
3	0.96765	0.98960	0.63070
4	0.71765	0.51040	0.88070
(1/2,0,0)' + set click here to show and hide
5	0.96765	0.98960	0.13070
6	0.71765	0.51040	0.38070
(0,0,1/2)' + set click here to show and hide
7	0.46765	0.98960	0.63070
8	0.21765	0.51040	0.88070

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

Atom	x	y	z
1	0.78235	0.48960	0.11930
2	0.53235	0.01040	0.36930
(1/2,0,1/2) + set click here to show and hide
3	0.28235	0.48960	0.61930
4	0.03235	0.01040	0.86930
(1/2,0,0)' + set click here to show and hide
5	0.28235	0.48960	0.11930
6	0.03235	0.01040	0.36930
(0,0,1/2)' + set click here to show and hide
7	0.78235	0.48960	0.61930
8	0.53235	0.01040	0.86930

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

Atom	x	y	z
1	0.11575	0.28500	0.01640
2	0.86575	0.21500	0.26640
(1/2,0,1/2) + set click here to show and hide
3	0.61575	0.28500	0.51640
4	0.36575	0.21500	0.76640
(1/2,0,0)' + set click here to show and hide
5	0.61575	0.28500	0.01640
6	0.36575	0.21500	0.26640
(0,0,1/2)' + set click here to show and hide
7	0.11575	0.28500	0.51640
8	0.86575	0.21500	0.76640

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

Atom	x	y	z
1	0.13425	0.78500	0.23360
2	0.88425	0.71500	0.48360
(1/2,0,1/2) + set click here to show and hide
3	0.63425	0.78500	0.73360
4	0.38425	0.71500	0.98360
(1/2,0,0)' + set click here to show and hide
5	0.63425	0.78500	0.23360
6	0.38425	0.71500	0.48360
(0,0,1/2)' + set click here to show and hide
7	0.13425	0.78500	0.73360
8	0.88425	0.71500	0.98360

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

Atom	x	y	z
1	0.14315	0.76940	0.01690
2	0.89315	0.73060	0.26690
(1/2,0,1/2) + set click here to show and hide
3	0.64315	0.76940	0.51690
4	0.39315	0.73060	0.76690
(1/2,0,0)' + set click here to show and hide
5	0.64315	0.76940	0.01690
6	0.39315	0.73060	0.26690
(0,0,1/2)' + set click here to show and hide
7	0.14315	0.76940	0.51690
8	0.89315	0.73060	0.76690

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

Atom	x	y	z
1	0.10685	0.26940	0.23310
2	0.85685	0.23060	0.48310
(1/2,0,1/2) + set click here to show and hide
3	0.60685	0.26940	0.73310
4	0.35685	0.23060	0.98310
(1/2,0,0)' + set click here to show and hide
5	0.60685	0.26940	0.23310
6	0.35685	0.23060	0.48310
(0,0,1/2)' + set click here to show and hide
7	0.10685	0.26940	0.73310
8	0.85685	0.23060	0.98310

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	0.0	0.0	1.90(1)	1.90
Os1	Os	0.00000	0.00000	0.25000	8	m_x,m_y,m_z	0.0	0.0	-0.378(2)	0.38

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