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

[Hide]

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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.16667	0.00000	0.95	16	m_x,m_y,m_z	0.58	0.0	1.72	1.62

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sb1	Sb	0.00000	0.16667	0.00000	0.05	16
Sb2	Sb	0.00000	0.00000	0.00000	0.9	8
Ni2	Ni	0.00000	0.00000	0.00000	0.1	8
O1	O	0.37985	0.00000	0.22580	1.	16
O2_1	O	0.11825	0.07820	0.23320	1.	16
O2_2	O	0.88175	0.07820	0.76680	1.	16
Li1	Li	0.00000	0.08150	0.50000	1.	16
Li2	Li	0.00000	0.25000	0.50000	1.	8

[Show all atoms in unit cell and their moment relations]

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	0.16667	0.00000	m_x,m_y,m_z	0.58000	0.00000	1.72000
2	0.25000	0.08333	0.00000	m_x,m_y,m_z	0.58000	0.00000	1.72000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.91667	0.00000	m_x,m_y,m_z	0.58000	0.00000	1.72000
4	0.50000	0.83333	0.00000	m_x,m_y,m_z	0.58000	0.00000	1.72000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.66667	0.00000	m_x,m_y,m_z	0.58000	0.00000	1.72000
6	0.75000	0.58333	0.00000	m_x,m_y,m_z	0.58000	0.00000	1.72000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.41667	0.00000	m_x,m_y,m_z	0.58000	0.00000	1.72000
8	0.00000	0.33333	0.00000	m_x,m_y,m_z	0.58000	0.00000	1.72000
(3/4,3/4,0)' + set click here to show and hide
9	0.75000	0.91667	0.00000	-m_x,-m_y,-m_z	-0.58000	0.00000	-1.72000
10	0.00000	0.83333	0.00000	-m_x,-m_y,-m_z	-0.58000	0.00000	-1.72000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.66667	0.00000	-m_x,-m_y,-m_z	-0.58000	0.00000	-1.72000
12	0.25000	0.58333	0.00000	-m_x,-m_y,-m_z	-0.58000	0.00000	-1.72000
(1/4,1/4,0)' + set click here to show and hide
13	0.25000	0.41667	0.00000	-m_x,-m_y,-m_z	-0.58000	0.00000	-1.72000
14	0.50000	0.33333	0.00000	-m_x,-m_y,-m_z	-0.58000	0.00000	-1.72000
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.16667	0.00000	-m_x,-m_y,-m_z	-0.58000	0.00000	-1.72000
16	0.75000	0.08333	0.00000	-m_x,-m_y,-m_z	-0.58000	0.00000	-1.72000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sb1:

Atom	x	y	z
1	0.00000	0.16667	0.00000
2	0.25000	0.08333	0.00000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.91667	0.00000
4	0.50000	0.83333	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.66667	0.00000
6	0.75000	0.58333	0.00000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.41667	0.00000
8	0.00000	0.33333	0.00000
(3/4,3/4,0)' + set click here to show and hide
9	0.75000	0.91667	0.00000
10	0.00000	0.83333	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.66667	0.00000
12	0.25000	0.58333	0.00000
(1/4,1/4,0)' + set click here to show and hide
13	0.25000	0.41667	0.00000
14	0.50000	0.33333	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.16667	0.00000
16	0.75000	0.08333	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sb2:

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

Set of atoms in the unit cell related by symmetry with the atom Ni2:

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

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

Atom	x	y	z
1	0.37985	0.00000	0.22580
2	0.87015	0.25000	0.77420
(1/4,3/4,0) + set click here to show and hide
3	0.62985	0.75000	0.22580
4	0.12015	0.00000	0.77420
(1/2,1/2,0) + set click here to show and hide
5	0.87985	0.50000	0.22580
6	0.37015	0.75000	0.77420
(3/4,1/4,0) + set click here to show and hide
7	0.12985	0.25000	0.22580
8	0.62015	0.50000	0.77420
(3/4,3/4,0)' + set click here to show and hide
9	0.12985	0.75000	0.22580
10	0.62015	0.00000	0.77420
(0,1/2,0)' + set click here to show and hide
11	0.37985	0.50000	0.22580
12	0.87015	0.75000	0.77420
(1/4,1/4,0)' + set click here to show and hide
13	0.62985	0.25000	0.22580
14	0.12015	0.50000	0.77420
(1/2,0,0)' + set click here to show and hide
15	0.87985	0.00000	0.22580
16	0.37015	0.25000	0.77420

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

Atom	x	y	z
1	0.11825	0.07820	0.23320
2	0.13175	0.17180	0.76680
(1/4,3/4,0) + set click here to show and hide
3	0.36825	0.82820	0.23320
4	0.38175	0.92180	0.76680
(1/2,1/2,0) + set click here to show and hide
5	0.61825	0.57820	0.23320
6	0.63175	0.67180	0.76680
(3/4,1/4,0) + set click here to show and hide
7	0.86825	0.32820	0.23320
8	0.88175	0.42180	0.76680
(3/4,3/4,0)' + set click here to show and hide
9	0.86825	0.82820	0.23320
10	0.88175	0.92180	0.76680
(0,1/2,0)' + set click here to show and hide
11	0.11825	0.57820	0.23320
12	0.13175	0.67180	0.76680
(1/4,1/4,0)' + set click here to show and hide
13	0.36825	0.32820	0.23320
14	0.38175	0.42180	0.76680
(1/2,0,0)' + set click here to show and hide
15	0.61825	0.07820	0.23320
16	0.63175	0.17180	0.76680

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

Atom	x	y	z
1	0.88175	0.07820	0.76680
2	0.36825	0.17180	0.23320
(1/4,3/4,0) + set click here to show and hide
3	0.13175	0.82820	0.76680
4	0.61825	0.92180	0.23320
(1/2,1/2,0) + set click here to show and hide
5	0.38175	0.57820	0.76680
6	0.86825	0.67180	0.23320
(3/4,1/4,0) + set click here to show and hide
7	0.63175	0.32820	0.76680
8	0.11825	0.42180	0.23320
(3/4,3/4,0)' + set click here to show and hide
9	0.63175	0.82820	0.76680
10	0.11825	0.92180	0.23320
(0,1/2,0)' + set click here to show and hide
11	0.88175	0.57820	0.76680
12	0.36825	0.67180	0.23320
(1/4,1/4,0)' + set click here to show and hide
13	0.13175	0.32820	0.76680
14	0.61825	0.42180	0.23320
(1/2,0,0)' + set click here to show and hide
15	0.38175	0.07820	0.76680
16	0.86825	0.17180	0.23320

Set of atoms in the unit cell related by symmetry with the atom Li1:

Atom	x	y	z
1	0.00000	0.08150	0.50000
2	0.25000	0.16850	0.50000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.83150	0.50000
4	0.50000	0.91850	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.58150	0.50000
6	0.75000	0.66850	0.50000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.33150	0.50000
8	0.00000	0.41850	0.50000
(3/4,3/4,0)' + set click here to show and hide
9	0.75000	0.83150	0.50000
10	0.00000	0.91850	0.50000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.58150	0.50000
12	0.25000	0.66850	0.50000
(1/4,1/4,0)' + set click here to show and hide
13	0.25000	0.33150	0.50000
14	0.50000	0.41850	0.50000
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.08150	0.50000
16	0.75000	0.16850	0.50000

Set of atoms in the unit cell related by symmetry with the atom Li2:

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

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.16667	0.00000	0.95	16	m_x,m_y,m_z	0.58	0.0	1.72	1.62

[Show all magnetic atoms in unit cell and their moment relations]

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

Li₃Ni₂SbO₆ (#1.373)

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

Li3Ni2SbO6 (#1.373)

Li₃Ni₂SbO₆ (#1.373)