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

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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\|
Co1	Co	0.00000	0.00000	0.15860	12	m_x,m_y,m_z	0.596	0.0	3.526	3.58

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.00000	0.00000	0.29430	12
As1	As	0.00000	0.00000	0.55860	12
O1_1	O	0.01000	0.34300	0.12200	12
O1_2	O	0.82850	0.67700	0.12200	12
O1_3	O	0.16150	0.98000	0.12200	12
O2	O	0.00000	0.00000	0.62020	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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.15860	m_x,m_y,m_z	0.59600	0.00000	3.52600
2	0.00000	0.00000	0.84140	-m_x,-m_y,-m_z	-0.59600	0.00000	-3.52600
(1/3,1/3,1/3) + set click here to show and hide
3	0.33333	0.33333	0.49193	m_x,m_y,m_z	0.59600	0.00000	3.52600
4	0.33333	0.33333	0.17473	-m_x,-m_y,-m_z	-0.59600	0.00000	-3.52600
(2/3,2/3,2/3) + set click here to show and hide
5	0.66667	0.66667	0.82527	m_x,m_y,m_z	0.59600	0.00000	3.52600
6	0.66667	0.66667	0.50807	-m_x,-m_y,-m_z	-0.59600	0.00000	-3.52600
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.15860	-m_x,-m_y,-m_z	-0.59600	0.00000	-3.52600
8	0.50000	0.00000	0.84140	m_x,m_y,m_z	0.59600	0.00000	3.52600
(5/6,1/3,1/3)' + set click here to show and hide
9	0.83333	0.33333	0.49193	-m_x,-m_y,-m_z	-0.59600	0.00000	-3.52600
10	0.83333	0.33333	0.17473	m_x,m_y,m_z	0.59600	0.00000	3.52600
(1/6,2/3,2/3)' + set click here to show and hide
11	0.16667	0.66667	0.82527	-m_x,-m_y,-m_z	-0.59600	0.00000	-3.52600
12	0.16667	0.66667	0.50807	m_x,m_y,m_z	0.59600	0.00000	3.52600

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1:

Atom	x	y	z
1	0.00000	0.00000	0.29430
2	0.00000	0.00000	0.70570
(1/3,1/3,1/3) + set click here to show and hide
3	0.33333	0.33333	0.62763
4	0.33333	0.33333	0.03903
(2/3,2/3,2/3) + set click here to show and hide
5	0.66667	0.66667	0.96097
6	0.66667	0.66667	0.37237
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.29430
8	0.50000	0.00000	0.70570
(5/6,1/3,1/3)' + set click here to show and hide
9	0.83333	0.33333	0.62763
10	0.83333	0.33333	0.03903
(1/6,2/3,2/3)' + set click here to show and hide
11	0.16667	0.66667	0.96097
12	0.16667	0.66667	0.37237

Set of atoms in the unit cell related by symmetry with the atom As1:

Atom	x	y	z
1	0.00000	0.00000	0.55860
2	0.00000	0.00000	0.44140
(1/3,1/3,1/3) + set click here to show and hide
3	0.33333	0.33333	0.89193
4	0.33333	0.33333	0.77473
(2/3,2/3,2/3) + set click here to show and hide
5	0.66667	0.66667	0.22527
6	0.66667	0.66667	0.10807
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.55860
8	0.50000	0.00000	0.44140
(5/6,1/3,1/3)' + set click here to show and hide
9	0.83333	0.33333	0.89193
10	0.83333	0.33333	0.77473
(1/6,2/3,2/3)' + set click here to show and hide
11	0.16667	0.66667	0.22527
12	0.16667	0.66667	0.10807

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

Atom	x	y	z
1	0.01000	0.34300	0.12200
2	0.99000	0.65700	0.87800
(1/3,1/3,1/3) + set click here to show and hide
3	0.34333	0.67633	0.45533
4	0.32333	0.99033	0.21133
(2/3,2/3,2/3) + set click here to show and hide
5	0.67667	0.00967	0.78867
6	0.65667	0.32367	0.54467
(1/2,0,0)' + set click here to show and hide
7	0.51000	0.34300	0.12200
8	0.49000	0.65700	0.87800
(5/6,1/3,1/3)' + set click here to show and hide
9	0.84333	0.67633	0.45533
10	0.82333	0.99033	0.21133
(1/6,2/3,2/3)' + set click here to show and hide
11	0.17667	0.00967	0.78867
12	0.15667	0.32367	0.54467

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

Atom	x	y	z
1	0.82850	0.67700	0.12200
2	0.17150	0.32300	0.87800
(1/3,1/3,1/3) + set click here to show and hide
3	0.16183	0.01033	0.45533
4	0.50483	0.65633	0.21133
(2/3,2/3,2/3) + set click here to show and hide
5	0.49517	0.34367	0.78867
6	0.83817	0.98967	0.54467
(1/2,0,0)' + set click here to show and hide
7	0.32850	0.67700	0.12200
8	0.67150	0.32300	0.87800
(5/6,1/3,1/3)' + set click here to show and hide
9	0.66183	0.01033	0.45533
10	0.00483	0.65633	0.21133
(1/6,2/3,2/3)' + set click here to show and hide
11	0.99517	0.34367	0.78867
12	0.33817	0.98967	0.54467

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

Atom	x	y	z
1	0.16150	0.98000	0.12200
2	0.83850	0.02000	0.87800
(1/3,1/3,1/3) + set click here to show and hide
3	0.49483	0.31333	0.45533
4	0.17183	0.35333	0.21133
(2/3,2/3,2/3) + set click here to show and hide
5	0.82817	0.64667	0.78867
6	0.50517	0.68667	0.54467
(1/2,0,0)' + set click here to show and hide
7	0.66150	0.98000	0.12200
8	0.33850	0.02000	0.87800
(5/6,1/3,1/3)' + set click here to show and hide
9	0.99483	0.31333	0.45533
10	0.67183	0.35333	0.21133
(1/6,2/3,2/3)' + set click here to show and hide
11	0.32817	0.64667	0.78867
12	0.00517	0.68667	0.54467

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

Atom	x	y	z
1	0.00000	0.00000	0.62020
2	0.00000	0.00000	0.37980
(1/3,1/3,1/3) + set click here to show and hide
3	0.33333	0.33333	0.95353
4	0.33333	0.33333	0.71313
(2/3,2/3,2/3) + set click here to show and hide
5	0.66667	0.66667	0.28687
6	0.66667	0.66667	0.04647
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.62020
8	0.50000	0.00000	0.37980
(5/6,1/3,1/3)' + set click here to show and hide
9	0.83333	0.33333	0.95353
10	0.83333	0.33333	0.71313
(1/6,2/3,2/3)' + set click here to show and hide
11	0.16667	0.66667	0.28687
12	0.16667	0.66667	0.04647

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.15860	12	m_x,m_y,m_z	0.596	0.0	3.526	3.58

label	dim. small irrep	dim. full irrep	action	number of modes
mF1-	1	3	primary	3

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