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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-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	0.08482	12	m_x,m_y,m_z	1.55(4)	0.0	0.0	1.55

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.00000	6
V1	V	0.00000	0.00000	0.21229	12
O1	O	0.00000	0.00000	0.17458	12
O2_1	O	0.65980	0.00600	0.10984	12
O2_2	O	0.99400	0.65380	0.10984	12
O2_3	O	0.34620	0.34020	0.10984	12

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	0.08482	m_x,m_y,m_z	1.55000	0.00000	0.00000
2	0.00000	0.00000	0.91518	m_x,m_y,m_z	1.55000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.41815	m_x,m_y,m_z	1.55000	0.00000	0.00000
4	0.33333	0.66667	0.24851	m_x,m_y,m_z	1.55000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.75149	m_x,m_y,m_z	1.55000	0.00000	0.00000
6	0.66667	0.33333	0.58185	m_x,m_y,m_z	1.55000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
7	0.66667	0.33333	0.25149	-m_x,-m_y,-m_z	-1.55000	0.00000	0.00000
8	0.66667	0.33333	0.08185	-m_x,-m_y,-m_z	-1.55000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.58482	-m_x,-m_y,-m_z	-1.55000	0.00000	0.00000
10	0.00000	0.00000	0.41518	-m_x,-m_y,-m_z	-1.55000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
11	0.33333	0.66667	0.91815	-m_x,-m_y,-m_z	-1.55000	0.00000	0.00000
12	0.33333	0.66667	0.74851	-m_x,-m_y,-m_z	-1.55000	0.00000	0.00000

Non-magnetic atoms:

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
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667
(2/3,1/3,1/6)' + set click here to show and hide
4	0.66667	0.33333	0.16667
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000
(1/3,2/3,5/6)' + set click here to show and hide
6	0.33333	0.66667	0.83333

Set of atoms in the unit cell related by symmetry with the atom V1:

Atom	x	y	z
1	0.00000	0.00000	0.21229
2	0.00000	0.00000	0.78771
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.54562
4	0.33333	0.66667	0.12104
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.87896
6	0.66667	0.33333	0.45438
(2/3,1/3,1/6)' + set click here to show and hide
7	0.66667	0.33333	0.37896
8	0.66667	0.33333	0.95438
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.71229
10	0.00000	0.00000	0.28771
(1/3,2/3,5/6)' + set click here to show and hide
11	0.33333	0.66667	0.04562
12	0.33333	0.66667	0.62104

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

Atom	x	y	z
1	0.00000	0.00000	0.17458
2	0.00000	0.00000	0.82542
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.50791
4	0.33333	0.66667	0.15875
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.84125
6	0.66667	0.33333	0.49209
(2/3,1/3,1/6)' + set click here to show and hide
7	0.66667	0.33333	0.34125
8	0.66667	0.33333	0.99209
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.67458
10	0.00000	0.00000	0.32542
(1/3,2/3,5/6)' + set click here to show and hide
11	0.33333	0.66667	0.00791
12	0.33333	0.66667	0.65875

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

Atom	x	y	z
1	0.65980	0.00600	0.10984
2	0.34020	0.99400	0.89016
(1/3,2/3,1/3) + set click here to show and hide
3	0.99313	0.67267	0.44317
4	0.67353	0.66067	0.22349
(2/3,1/3,2/3) + set click here to show and hide
5	0.32647	0.33933	0.77651
6	0.00687	0.32733	0.55683
(2/3,1/3,1/6)' + set click here to show and hide
7	0.32647	0.33933	0.27651
8	0.00687	0.32733	0.05683
(0,0,1/2)' + set click here to show and hide
9	0.65980	0.00600	0.60984
10	0.34020	0.99400	0.39016
(1/3,2/3,5/6)' + set click here to show and hide
11	0.99313	0.67267	0.94317
12	0.67353	0.66067	0.72349

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

Atom	x	y	z
1	0.99400	0.65380	0.10984
2	0.00600	0.34620	0.89016
(1/3,2/3,1/3) + set click here to show and hide
3	0.32733	0.32047	0.44317
4	0.33933	0.01287	0.22349
(2/3,1/3,2/3) + set click here to show and hide
5	0.66067	0.98713	0.77651
6	0.67267	0.67953	0.55683
(2/3,1/3,1/6)' + set click here to show and hide
7	0.66067	0.98713	0.27651
8	0.67267	0.67953	0.05683
(0,0,1/2)' + set click here to show and hide
9	0.99400	0.65380	0.60984
10	0.00600	0.34620	0.39016
(1/3,2/3,5/6)' + set click here to show and hide
11	0.32733	0.32047	0.94317
12	0.33933	0.01287	0.72349

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

Atom	x	y	z
1	0.34620	0.34020	0.10984
2	0.65380	0.65980	0.89016
(1/3,2/3,1/3) + set click here to show and hide
3	0.67953	0.00687	0.44317
4	0.98713	0.32647	0.22349
(2/3,1/3,2/3) + set click here to show and hide
5	0.01287	0.67353	0.77651
6	0.32047	0.99313	0.55683
(2/3,1/3,1/6)' + set click here to show and hide
7	0.01287	0.67353	0.27651
8	0.32047	0.99313	0.05683
(0,0,1/2)' + set click here to show and hide
9	0.34620	0.34020	0.60984
10	0.65380	0.65980	0.39016
(1/3,2/3,5/6)' + set click here to show and hide
11	0.67953	0.00687	0.94317
12	0.98713	0.32647	0.72349

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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	0.08482	12	m_x,m_y,m_z	1.55(4)	0.0	0.0	1.55

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