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

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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_1	Ni	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	-0.895	0.895	0.0	1.27
Ni1_2	Ni	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	0.517	-0.138	0.378	0.66
Ni1_3	Ni	0.00000	0.25000	0.25000	8	m_x,m_y,m_z	-0.138	-0.517	-0.378	0.66
Ni1_4	Ni	0.25000	0.25000	0.00000	8	m_x,m_y,m_z	-0.517	0.517	-1.033	1.27

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1_1	S	0.19650	0.19650	0.19650	16
S1_2	S	0.05350	0.80350	0.44650	16
S1_3	S	0.80350	0.44650	0.05350	16
S1_4	S	0.44650	0.05350	0.80350	16

[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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-0.89500	0.89500	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	m_x,m_y,m_z	-0.89500	0.89500	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,m_z	-0.89500	0.89500	0.00000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000	m_x,m_y,m_z	-0.89500	0.89500	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.50000	0.50000	-m_x,-m_y,-m_z	0.89500	-0.89500	0.00000
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.89500	-0.89500	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	0.89500	-0.89500	0.00000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.89500	-0.89500	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.25000	m_x,m_y,m_z	0.51700	-0.13800	0.37800
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,m_y,m_z	0.51700	-0.13800	0.37800
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.75000	m_x,m_y,m_z	0.51700	-0.13800	0.37800
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,m_y,m_z	0.51700	-0.13800	0.37800
(1/2,1/2,1/2)' + set click here to show and hide
5	0.75000	0.50000	0.75000	-m_x,-m_y,-m_z	-0.51700	0.13800	-0.37800
(1/2,0,0)' + set click here to show and hide
6	0.75000	0.00000	0.25000	-m_x,-m_y,-m_z	-0.51700	0.13800	-0.37800
(0,1/2,0)' + set click here to show and hide
7	0.25000	0.50000	0.25000	-m_x,-m_y,-m_z	-0.51700	0.13800	-0.37800
(0,0,1/2)' + set click here to show and hide
8	0.25000	0.00000	0.75000	-m_x,-m_y,-m_z	-0.51700	0.13800	-0.37800

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.25000	m_x,m_y,m_z	-0.13800	-0.51700	-0.37800
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.75000	0.75000	m_x,m_y,m_z	-0.13800	-0.51700	-0.37800
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.25000	0.75000	m_x,m_y,m_z	-0.13800	-0.51700	-0.37800
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.75000	0.25000	m_x,m_y,m_z	-0.13800	-0.51700	-0.37800
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.75000	0.75000	-m_x,-m_y,-m_z	0.13800	0.51700	0.37800
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.25000	0.25000	-m_x,-m_y,-m_z	0.13800	0.51700	0.37800
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.75000	0.25000	-m_x,-m_y,-m_z	0.13800	0.51700	0.37800
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.25000	0.75000	-m_x,-m_y,-m_z	0.13800	0.51700	0.37800

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.00000	m_x,m_y,m_z	-0.51700	0.51700	-1.03300
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.50000	m_x,m_y,m_z	-0.51700	0.51700	-1.03300
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.50000	m_x,m_y,m_z	-0.51700	0.51700	-1.03300
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.00000	m_x,m_y,m_z	-0.51700	0.51700	-1.03300
(1/2,1/2,1/2)' + set click here to show and hide
5	0.75000	0.75000	0.50000	-m_x,-m_y,-m_z	0.51700	-0.51700	1.03300
(1/2,0,0)' + set click here to show and hide
6	0.75000	0.25000	0.00000	-m_x,-m_y,-m_z	0.51700	-0.51700	1.03300
(0,1/2,0)' + set click here to show and hide
7	0.25000	0.75000	0.00000	-m_x,-m_y,-m_z	0.51700	-0.51700	1.03300
(0,0,1/2)' + set click here to show and hide
8	0.25000	0.25000	0.50000	-m_x,-m_y,-m_z	0.51700	-0.51700	1.03300

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.19650	0.19650	0.19650
2	0.80350	0.30350	0.30350
(0,1/2,1/2) + set click here to show and hide
3	0.19650	0.69650	0.69650
4	0.80350	0.80350	0.80350
(1/2,0,1/2) + set click here to show and hide
5	0.69650	0.19650	0.69650
6	0.30350	0.30350	0.80350
(1/2,1/2,0) + set click here to show and hide
7	0.69650	0.69650	0.19650
8	0.30350	0.80350	0.30350
(1/2,1/2,1/2)' + set click here to show and hide
9	0.69650	0.69650	0.69650
10	0.30350	0.80350	0.80350
(1/2,0,0)' + set click here to show and hide
11	0.69650	0.19650	0.19650
12	0.30350	0.30350	0.30350
(0,1/2,0)' + set click here to show and hide
13	0.19650	0.69650	0.19650
14	0.80350	0.80350	0.30350
(0,0,1/2)' + set click here to show and hide
15	0.19650	0.19650	0.69650
16	0.80350	0.30350	0.80350

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.05350	0.80350	0.44650
2	0.94650	0.69650	0.05350
(0,1/2,1/2) + set click here to show and hide
3	0.05350	0.30350	0.94650
4	0.94650	0.19650	0.55350
(1/2,0,1/2) + set click here to show and hide
5	0.55350	0.80350	0.94650
6	0.44650	0.69650	0.55350
(1/2,1/2,0) + set click here to show and hide
7	0.55350	0.30350	0.44650
8	0.44650	0.19650	0.05350
(1/2,1/2,1/2)' + set click here to show and hide
9	0.55350	0.30350	0.94650
10	0.44650	0.19650	0.55350
(1/2,0,0)' + set click here to show and hide
11	0.55350	0.80350	0.44650
12	0.44650	0.69650	0.05350
(0,1/2,0)' + set click here to show and hide
13	0.05350	0.30350	0.44650
14	0.94650	0.19650	0.05350
(0,0,1/2)' + set click here to show and hide
15	0.05350	0.80350	0.94650
16	0.94650	0.69650	0.55350

Set of atoms in the unit cell related by symmetry with the atom S1_3:

Atom	x	y	z
1	0.80350	0.44650	0.05350
2	0.19650	0.05350	0.44650
(0,1/2,1/2) + set click here to show and hide
3	0.80350	0.94650	0.55350
4	0.19650	0.55350	0.94650
(1/2,0,1/2) + set click here to show and hide
5	0.30350	0.44650	0.55350
6	0.69650	0.05350	0.94650
(1/2,1/2,0) + set click here to show and hide
7	0.30350	0.94650	0.05350
8	0.69650	0.55350	0.44650
(1/2,1/2,1/2)' + set click here to show and hide
9	0.30350	0.94650	0.55350
10	0.69650	0.55350	0.94650
(1/2,0,0)' + set click here to show and hide
11	0.30350	0.44650	0.05350
12	0.69650	0.05350	0.44650
(0,1/2,0)' + set click here to show and hide
13	0.80350	0.94650	0.05350
14	0.19650	0.55350	0.44650
(0,0,1/2)' + set click here to show and hide
15	0.80350	0.44650	0.55350
16	0.19650	0.05350	0.94650

Set of atoms in the unit cell related by symmetry with the atom S1_4:

Atom	x	y	z
1	0.44650	0.05350	0.80350
2	0.55350	0.44650	0.69650
(0,1/2,1/2) + set click here to show and hide
3	0.44650	0.55350	0.30350
4	0.55350	0.94650	0.19650
(1/2,0,1/2) + set click here to show and hide
5	0.94650	0.05350	0.30350
6	0.05350	0.44650	0.19650
(1/2,1/2,0) + set click here to show and hide
7	0.94650	0.55350	0.80350
8	0.05350	0.94650	0.69650
(1/2,1/2,1/2)' + set click here to show and hide
9	0.94650	0.55350	0.30350
10	0.05350	0.94650	0.19650
(1/2,0,0)' + set click here to show and hide
11	0.94650	0.05350	0.80350
12	0.05350	0.44650	0.69650
(0,1/2,0)' + set click here to show and hide
13	0.44650	0.55350	0.80350
14	0.55350	0.94650	0.69650
(0,0,1/2)' + set click here to show and hide
15	0.44650	0.05350	0.30350
16	0.55350	0.44650	0.19650

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	-0.895	0.895	0.0	1.27
Ni1_2	Ni	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	0.517	-0.138	0.378	0.66
Ni1_3	Ni	0.00000	0.25000	0.25000	8	m_x,m_y,m_z	-0.138	-0.517	-0.378	0.66
Ni1_4	Ni	0.25000	0.25000	0.00000	8	m_x,m_y,m_z	-0.517	0.517	-1.033	1.27

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: