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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
4	-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\|
Ni	Ni	0.00000	0.33333	0.00000	16	m_x,m_y,m_z	0.68	-0.05	1.9	1.81

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sb	Sb	0.00000	0.00000	0.00000	8
O1_1	O	0.13650	0.17545	0.79160	16
O1_2	O	0.86350	0.17545	0.20840	16
O2	O	0.37800	0.00000	0.20560	16
Na1	Na	0.00000	0.25000	0.50000	8
Na2	Na	0.00000	0.41920	0.50000	16

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 Ni:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.00000	m_x,m_y,m_z	0.68000	-0.05000	1.90000
2	0.00000	0.66667	0.00000	-m_x,-m_y,-m_z	-0.68000	0.05000	-1.90000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.08333	0.00000	m_x,m_y,m_z	0.68000	-0.05000	1.90000
4	0.25000	0.41667	0.00000	-m_x,-m_y,-m_z	-0.68000	0.05000	-1.90000
(3/4,1/4,0) + set click here to show and hide
5	0.75000	0.58333	0.00000	m_x,m_y,m_z	0.68000	-0.05000	1.90000
6	0.75000	0.91667	0.00000	-m_x,-m_y,-m_z	-0.68000	0.05000	-1.90000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.83333	0.00000	m_x,m_y,m_z	0.68000	-0.05000	1.90000
8	0.50000	0.16667	0.00000	-m_x,-m_y,-m_z	-0.68000	0.05000	-1.90000
(1/2,0,0)' + set click here to show and hide
9	0.50000	0.33333	0.00000	-m_x,-m_y,-m_z	-0.68000	0.05000	-1.90000
10	0.50000	0.66667	0.00000	m_x,m_y,m_z	0.68000	-0.05000	1.90000
(1/4,1/4,0)' + set click here to show and hide
11	0.25000	0.58333	0.00000	-m_x,-m_y,-m_z	-0.68000	0.05000	-1.90000
12	0.25000	0.91667	0.00000	m_x,m_y,m_z	0.68000	-0.05000	1.90000
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.83333	0.00000	-m_x,-m_y,-m_z	-0.68000	0.05000	-1.90000
14	0.00000	0.16667	0.00000	m_x,m_y,m_z	0.68000	-0.05000	1.90000
(3/4,3/4,0)' + set click here to show and hide
15	0.75000	0.08333	0.00000	-m_x,-m_y,-m_z	-0.68000	0.05000	-1.90000
16	0.75000	0.41667	0.00000	m_x,m_y,m_z	0.68000	-0.05000	1.90000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/4,3/4,0) + set click here to show and hide
2	0.25000	0.75000	0.00000
(3/4,1/4,0) + set click here to show and hide
3	0.75000	0.25000	0.00000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000
(1/4,1/4,0)' + set click here to show and hide
6	0.25000	0.25000	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.00000
(3/4,3/4,0)' + set click here to show and hide
8	0.75000	0.75000	0.00000

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

Atom	x	y	z
1	0.13650	0.17545	0.79160
2	0.86350	0.82455	0.20840
(1/4,3/4,0) + set click here to show and hide
3	0.38650	0.92545	0.79160
4	0.11350	0.57455	0.20840
(3/4,1/4,0) + set click here to show and hide
5	0.88650	0.42545	0.79160
6	0.61350	0.07455	0.20840
(1/2,1/2,0) + set click here to show and hide
7	0.63650	0.67545	0.79160
8	0.36350	0.32455	0.20840
(1/2,0,0)' + set click here to show and hide
9	0.63650	0.17545	0.79160
10	0.36350	0.82455	0.20840
(1/4,1/4,0)' + set click here to show and hide
11	0.38650	0.42545	0.79160
12	0.11350	0.07455	0.20840
(0,1/2,0)' + set click here to show and hide
13	0.13650	0.67545	0.79160
14	0.86350	0.32455	0.20840
(3/4,3/4,0)' + set click here to show and hide
15	0.88650	0.92545	0.79160
16	0.61350	0.57455	0.20840

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

Atom	x	y	z
1	0.86350	0.17545	0.20840
2	0.13650	0.82455	0.79160
(1/4,3/4,0) + set click here to show and hide
3	0.11350	0.92545	0.20840
4	0.38650	0.57455	0.79160
(3/4,1/4,0) + set click here to show and hide
5	0.61350	0.42545	0.20840
6	0.88650	0.07455	0.79160
(1/2,1/2,0) + set click here to show and hide
7	0.36350	0.67545	0.20840
8	0.63650	0.32455	0.79160
(1/2,0,0)' + set click here to show and hide
9	0.36350	0.17545	0.20840
10	0.63650	0.82455	0.79160
(1/4,1/4,0)' + set click here to show and hide
11	0.11350	0.42545	0.20840
12	0.38650	0.07455	0.79160
(0,1/2,0)' + set click here to show and hide
13	0.86350	0.67545	0.20840
14	0.13650	0.32455	0.79160
(3/4,3/4,0)' + set click here to show and hide
15	0.61350	0.92545	0.20840
16	0.88650	0.57455	0.79160

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.37800	0.00000	0.20560
2	0.62200	0.00000	0.79440
(1/4,3/4,0) + set click here to show and hide
3	0.62800	0.75000	0.20560
4	0.87200	0.75000	0.79440
(3/4,1/4,0) + set click here to show and hide
5	0.12800	0.25000	0.20560
6	0.37200	0.25000	0.79440
(1/2,1/2,0) + set click here to show and hide
7	0.87800	0.50000	0.20560
8	0.12200	0.50000	0.79440
(1/2,0,0)' + set click here to show and hide
9	0.87800	0.00000	0.20560
10	0.12200	0.00000	0.79440
(1/4,1/4,0)' + set click here to show and hide
11	0.62800	0.25000	0.20560
12	0.87200	0.25000	0.79440
(0,1/2,0)' + set click here to show and hide
13	0.37800	0.50000	0.20560
14	0.62200	0.50000	0.79440
(3/4,3/4,0)' + set click here to show and hide
15	0.12800	0.75000	0.20560
16	0.37200	0.75000	0.79440

Set of atoms in the unit cell related by symmetry with the atom Na1:

Atom	x	y	z
1	0.00000	0.25000	0.50000
(1/4,3/4,0) + set click here to show and hide
2	0.25000	0.00000	0.50000
(3/4,1/4,0) + set click here to show and hide
3	0.75000	0.50000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.75000	0.50000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.25000	0.50000
(1/4,1/4,0)' + set click here to show and hide
6	0.25000	0.50000	0.50000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.75000	0.50000
(3/4,3/4,0)' + set click here to show and hide
8	0.75000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Na2:

Atom	x	y	z
1	0.00000	0.41920	0.50000
2	0.00000	0.58080	0.50000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.16920	0.50000
4	0.25000	0.33080	0.50000
(3/4,1/4,0) + set click here to show and hide
5	0.75000	0.66920	0.50000
6	0.75000	0.83080	0.50000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.91920	0.50000
8	0.50000	0.08080	0.50000
(1/2,0,0)' + set click here to show and hide
9	0.50000	0.41920	0.50000
10	0.50000	0.58080	0.50000
(1/4,1/4,0)' + set click here to show and hide
11	0.25000	0.66920	0.50000
12	0.25000	0.83080	0.50000
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.91920	0.50000
14	0.00000	0.08080	0.50000
(3/4,3/4,0)' + set click here to show and hide
15	0.75000	0.16920	0.50000
16	0.75000	0.33080	0.50000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni	Ni	0.00000	0.33333	0.00000	16	m_x,m_y,m_z	0.68	-0.05	1.9	1.81

label	dim. small irrep	dim. full irrep	action	number of modes
mV1-	1	2	primary	3

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