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

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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	0.17685	12	m_x,m_y,m_z	1.46(1)	0.0	0.0	1.46

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ti1	Ti	0.00000	0.00000	0.06690	12
O1_1	O	0.33440	0.00520	0.12330	12
O1_2	O	0.99480	0.32920	0.12330	12
O1_3	O	0.67080	0.66560	0.12330	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	0.17685	m_x,m_y,m_z	1.46000	0.00000	0.00000
2	0.00000	0.00000	0.82315	m_x,m_y,m_z	1.46000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.51018	m_x,m_y,m_z	1.46000	0.00000	0.00000
4	0.33333	0.66667	0.15648	m_x,m_y,m_z	1.46000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.84352	m_x,m_y,m_z	1.46000	0.00000	0.00000
6	0.66667	0.33333	0.48982	m_x,m_y,m_z	1.46000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.67685	-m_x,-m_y,-m_z	-1.46000	0.00000	0.00000
8	0.00000	0.00000	0.32315	-m_x,-m_y,-m_z	-1.46000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.01018	-m_x,-m_y,-m_z	-1.46000	0.00000	0.00000
10	0.33333	0.66667	0.65648	-m_x,-m_y,-m_z	-1.46000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.34352	-m_x,-m_y,-m_z	-1.46000	0.00000	0.00000
12	0.66667	0.33333	0.98982	-m_x,-m_y,-m_z	-1.46000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ti1:

Atom	x	y	z
1	0.00000	0.00000	0.06690
2	0.00000	0.00000	0.93310
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.40023
4	0.33333	0.66667	0.26643
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.73357
6	0.66667	0.33333	0.59977
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.56690
8	0.00000	0.00000	0.43310
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.90023
10	0.33333	0.66667	0.76643
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.23357
12	0.66667	0.33333	0.09977

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

Atom	x	y	z
1	0.33440	0.00520	0.12330
2	0.66560	0.99480	0.87670
(1/3,2/3,1/3) + set click here to show and hide
3	0.66773	0.67187	0.45663
4	0.99893	0.66147	0.21003
(2/3,1/3,2/3) + set click here to show and hide
5	0.00107	0.33853	0.78997
6	0.33227	0.32813	0.54337
(0,0,1/2)' + set click here to show and hide
7	0.33440	0.00520	0.62330
8	0.66560	0.99480	0.37670
(1/3,2/3,5/6)' + set click here to show and hide
9	0.66773	0.67187	0.95663
10	0.99893	0.66147	0.71003
(2/3,1/3,1/6)' + set click here to show and hide
11	0.00107	0.33853	0.28997
12	0.33227	0.32813	0.04337

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

Atom	x	y	z
1	0.99480	0.32920	0.12330
2	0.00520	0.67080	0.87670
(1/3,2/3,1/3) + set click here to show and hide
3	0.32813	0.99587	0.45663
4	0.33853	0.33747	0.21003
(2/3,1/3,2/3) + set click here to show and hide
5	0.66147	0.66253	0.78997
6	0.67187	0.00413	0.54337
(0,0,1/2)' + set click here to show and hide
7	0.99480	0.32920	0.62330
8	0.00520	0.67080	0.37670
(1/3,2/3,5/6)' + set click here to show and hide
9	0.32813	0.99587	0.95663
10	0.33853	0.33747	0.71003
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66147	0.66253	0.28997
12	0.67187	0.00413	0.04337

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

Atom	x	y	z
1	0.67080	0.66560	0.12330
2	0.32920	0.33440	0.87670
(1/3,2/3,1/3) + set click here to show and hide
3	0.00413	0.33227	0.45663
4	0.66253	0.00107	0.21003
(2/3,1/3,2/3) + set click here to show and hide
5	0.33747	0.99893	0.78997
6	0.99587	0.66773	0.54337
(0,0,1/2)' + set click here to show and hide
7	0.67080	0.66560	0.62330
8	0.32920	0.33440	0.37670
(1/3,2/3,5/6)' + set click here to show and hide
9	0.00413	0.33227	0.95663
10	0.66253	0.00107	0.71003
(2/3,1/3,1/6)' + set click here to show and hide
11	0.33747	0.99893	0.28997
12	0.99587	0.66773	0.04337

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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	0.17685	12	m_x,m_y,m_z	1.46(1)	0.0	0.0	1.46

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