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+1/2,-y+1/4,z,+1	{ 2₀₀₁ \| 1/2 1/4 0 }
3	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
4	x+1/2,-y+1/4,z+1/2,+1	{ m₀₁₀ \| 1/2 1/4 1/2 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	-x+1/2,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/2 3/4 1/2 }
7	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
8	x+1/2,-y+3/4,z,+1	{ m₀₁₀ \| 1/2 3/4 0 }
(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+1/2,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/4 1/2 }
11	-x,y,z,-1	{ m'₁₀₀ \| 0 }
12	x+1/2,-y+1/4,z,-1	{ m'₀₁₀ \| 1/2 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+1/2,-y+3/4,z,-1	{ 2'₀₀₁ \| 1/2 3/4 0 }
15	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
16	x+1/2,-y+3/4,z+1/2,-1	{ m'₀₁₀ \| 1/2 3/4 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,y,z,+1	m₁₀₀
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

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	0,m_y,m_z	0.0	-1.6(1)	0.0	1.60
Ni1_2	Ni	0.00000	0.25000	0.25000	8	0,m_y,m_z	0.0	1.6	0.0	1.60

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ta1_1	Ta	0.00000	0.00000	0.16580	8
Ta1_2	Ta	0.00000	0.25000	0.41580	8
Ta1_3	Ta	0.00000	0.25000	0.08420	8
Ta1_4	Ta	0.00000	0.00000	0.83420	8
O1_1	O	0.00000	0.15350	0.00000	8
O1_2	O	0.00000	0.84650	0.00000	8
O1_3	O	0.69300	0.25000	0.25000	16
O2_1	O	0.00000	0.14850	0.16350	8
O2_2	O	0.00000	0.85150	0.16350	8
O2_3	O	0.70300	0.25000	0.41350	16
O2_4	O	0.70300	0.25000	0.08650	16
O2_5	O	0.00000	0.14850	0.83650	8
O2_6	O	0.00000	0.85150	0.83650	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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	-1.60000	0.00000
2	0.50000	0.25000	0.00000	0,-m_y,m_z	0.00000	1.60000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	0,m_y,m_z	0.00000	-1.60000	0.00000
4	0.50000	0.75000	0.50000	0,-m_y,m_z	0.00000	1.60000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	0,-m_y,-m_z	0.00000	1.60000	0.00000
6	0.50000	0.25000	0.50000	0,m_y,-m_z	0.00000	-1.60000	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.00000	0,-m_y,-m_z	0.00000	1.60000	0.00000
8	0.50000	0.75000	0.00000	0,m_y,-m_z	0.00000	-1.60000	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	0.00000	0.25000	0.25000	0,m_y,m_z	0.00000	1.60000	0.00000
2	0.50000	0.00000	0.25000	0,-m_y,m_z	0.00000	-1.60000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.75000	0,m_y,m_z	0.00000	1.60000	0.00000
4	0.50000	0.50000	0.75000	0,-m_y,m_z	0.00000	-1.60000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.25000	0.75000	0,-m_y,-m_z	0.00000	-1.60000	0.00000
6	0.50000	0.00000	0.75000	0,m_y,-m_z	0.00000	1.60000	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.75000	0.25000	0,-m_y,-m_z	0.00000	-1.60000	0.00000
8	0.50000	0.50000	0.25000	0,m_y,-m_z	0.00000	1.60000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ta1_1:

Atom	x	y	z
1	0.00000	0.00000	0.16580
2	0.50000	0.25000	0.16580
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.66580
4	0.50000	0.75000	0.66580
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.66580
6	0.50000	0.25000	0.66580
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.16580
8	0.50000	0.75000	0.16580

Set of atoms in the unit cell related by symmetry with the atom Ta1_2:

Atom	x	y	z
1	0.00000	0.25000	0.41580
2	0.50000	0.00000	0.41580
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.91580
4	0.50000	0.50000	0.91580
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.25000	0.91580
6	0.50000	0.00000	0.91580
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.75000	0.41580
8	0.50000	0.50000	0.41580

Set of atoms in the unit cell related by symmetry with the atom Ta1_3:

Atom	x	y	z
1	0.00000	0.25000	0.08420
2	0.50000	0.00000	0.08420
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.58420
4	0.50000	0.50000	0.58420
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.25000	0.58420
6	0.50000	0.00000	0.58420
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.75000	0.08420
8	0.50000	0.50000	0.08420

Set of atoms in the unit cell related by symmetry with the atom Ta1_4:

Atom	x	y	z
1	0.00000	0.00000	0.83420
2	0.50000	0.25000	0.83420
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.33420
4	0.50000	0.75000	0.33420
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.33420
6	0.50000	0.25000	0.33420
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.83420
8	0.50000	0.75000	0.83420

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

Atom	x	y	z
1	0.00000	0.15350	0.00000
2	0.50000	0.09650	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.65350	0.50000
4	0.50000	0.59650	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.15350	0.50000
6	0.50000	0.09650	0.50000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.65350	0.00000
8	0.50000	0.59650	0.00000

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

Atom	x	y	z
1	0.00000	0.84650	0.00000
2	0.50000	0.40350	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.34650	0.50000
4	0.50000	0.90350	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.84650	0.50000
6	0.50000	0.40350	0.50000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.34650	0.00000
8	0.50000	0.90350	0.00000

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

Atom	x	y	z
1	0.69300	0.25000	0.25000
2	0.80700	0.00000	0.25000
3	0.30700	0.25000	0.75000
4	0.19300	0.00000	0.75000
(0,1/2,1/2) + set click here to show and hide
5	0.69300	0.75000	0.75000
6	0.80700	0.50000	0.75000
7	0.30700	0.75000	0.25000
8	0.19300	0.50000	0.25000
(0,0,1/2)' + set click here to show and hide
9	0.69300	0.25000	0.75000
10	0.80700	0.00000	0.75000
11	0.30700	0.25000	0.25000
12	0.19300	0.00000	0.25000
(0,1/2,0)' + set click here to show and hide
13	0.69300	0.75000	0.25000
14	0.80700	0.50000	0.25000
15	0.30700	0.75000	0.75000
16	0.19300	0.50000	0.75000

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

Atom	x	y	z
1	0.00000	0.14850	0.16350
2	0.50000	0.10150	0.16350
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.64850	0.66350
4	0.50000	0.60150	0.66350
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.14850	0.66350
6	0.50000	0.10150	0.66350
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.64850	0.16350
8	0.50000	0.60150	0.16350

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

Atom	x	y	z
1	0.00000	0.85150	0.16350
2	0.50000	0.39850	0.16350
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.35150	0.66350
4	0.50000	0.89850	0.66350
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.85150	0.66350
6	0.50000	0.39850	0.66350
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.35150	0.16350
8	0.50000	0.89850	0.16350

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

Atom	x	y	z
1	0.70300	0.25000	0.41350
2	0.79700	0.00000	0.41350
3	0.29700	0.25000	0.91350
4	0.20300	0.00000	0.91350
(0,1/2,1/2) + set click here to show and hide
5	0.70300	0.75000	0.91350
6	0.79700	0.50000	0.91350
7	0.29700	0.75000	0.41350
8	0.20300	0.50000	0.41350
(0,0,1/2)' + set click here to show and hide
9	0.70300	0.25000	0.91350
10	0.79700	0.00000	0.91350
11	0.29700	0.25000	0.41350
12	0.20300	0.00000	0.41350
(0,1/2,0)' + set click here to show and hide
13	0.70300	0.75000	0.41350
14	0.79700	0.50000	0.41350
15	0.29700	0.75000	0.91350
16	0.20300	0.50000	0.91350

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.70300	0.25000	0.08650
2	0.79700	0.00000	0.08650
3	0.29700	0.25000	0.58650
4	0.20300	0.00000	0.58650
(0,1/2,1/2) + set click here to show and hide
5	0.70300	0.75000	0.58650
6	0.79700	0.50000	0.58650
7	0.29700	0.75000	0.08650
8	0.20300	0.50000	0.08650
(0,0,1/2)' + set click here to show and hide
9	0.70300	0.25000	0.58650
10	0.79700	0.00000	0.58650
11	0.29700	0.25000	0.08650
12	0.20300	0.00000	0.08650
(0,1/2,0)' + set click here to show and hide
13	0.70300	0.75000	0.08650
14	0.79700	0.50000	0.08650
15	0.29700	0.75000	0.58650
16	0.20300	0.50000	0.58650

Set of atoms in the unit cell related by symmetry with the atom O2_5:

Atom	x	y	z
1	0.00000	0.14850	0.83650
2	0.50000	0.10150	0.83650
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.64850	0.33650
4	0.50000	0.60150	0.33650
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.14850	0.33650
6	0.50000	0.10150	0.33650
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.64850	0.83650
8	0.50000	0.60150	0.83650

Set of atoms in the unit cell related by symmetry with the atom O2_6:

Atom	x	y	z
1	0.00000	0.85150	0.83650
2	0.50000	0.39850	0.83650
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.35150	0.33650
4	0.50000	0.89850	0.33650
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.85150	0.33650
6	0.50000	0.39850	0.33650
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.35150	0.83650
8	0.50000	0.89850	0.83650

[Hide]

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	0,m_y,m_z	0.0	-1.6(1)	0.0	1.60
Ni1_2	Ni	0.00000	0.25000	0.25000	8	0,m_y,m_z	0.0	1.6	0.0	1.60

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mS2	4	1	special	primary	2
mS4	4	1	special	primary	2

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

NiTa₂O₆ (#1.172)

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

NiTa2O6 (#1.172)

NiTa₂O₆ (#1.172)