MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.16894	6	m_x,m_y,m_z	2.31	1.155	0.0	2.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.00000	0.00000	0.57336	6
Ba1	Ba	0.00000	0.00000	0.00000	3
O1	O	0.00000	0.00000	0.63796	6
O2_1	O	0.34240	0.36430	0.21847	6
O2_2	O	0.63570	0.97810	0.21847	6
O2_3	O	0.02190	0.65760	0.21847	6

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	0.16894	m_x,m_y,m_z	2.31000	1.15500	0.00000
2	0.00000	0.00000	0.83106	-m_x,-m_y,-m_z	-2.31000	-1.15500	0.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.83561	m_x,m_y,m_z	2.31000	1.15500	0.00000
4	0.33333	0.66667	0.49773	-m_x,-m_y,-m_z	-2.31000	-1.15500	0.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.50227	m_x,m_y,m_z	2.31000	1.15500	0.00000
6	0.66667	0.33333	0.16439	-m_x,-m_y,-m_z	-2.31000	-1.15500	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.00000	0.00000	0.57336
2	0.00000	0.00000	0.42664
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.24003
4	0.33333	0.66667	0.09331
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.90669
6	0.66667	0.33333	0.75997

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.66667
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.33333

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.00000	0.00000	0.63796
2	0.00000	0.00000	0.36204
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.30463
4	0.33333	0.66667	0.02871
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.97129
6	0.66667	0.33333	0.69537

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

Atom	x	y	z
1	0.34240	0.36430	0.21847
2	0.65760	0.63570	0.78153
(1/3,2/3,2/3) + set click here to show and hide
3	0.67573	0.03097	0.88514
4	0.99093	0.30237	0.44820
(2/3,1/3,1/3) + set click here to show and hide
5	0.00907	0.69763	0.55180
6	0.32427	0.96903	0.11486

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

Atom	x	y	z
1	0.63570	0.97810	0.21847
2	0.36430	0.02190	0.78153
(1/3,2/3,2/3) + set click here to show and hide
3	0.96903	0.64477	0.88514
4	0.69763	0.68857	0.44820
(2/3,1/3,1/3) + set click here to show and hide
5	0.30237	0.31143	0.55180
6	0.03097	0.35523	0.11486

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

Atom	x	y	z
1	0.02190	0.65760	0.21847
2	0.97810	0.34240	0.78153
(1/3,2/3,2/3) + set click here to show and hide
3	0.35523	0.32427	0.88514
4	0.31143	0.00907	0.44820
(2/3,1/3,1/3) + set click here to show and hide
5	0.68857	0.99093	0.55180
6	0.64477	0.67573	0.11486

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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	0.16894	6	m_x,m_y,m_z	2.31	1.155	0.0	2.00

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