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	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	x,x-y,-z,+1	{ 2₂₁₀ \| 0 }
5	-x+y,y,-z,+1	{ 2₁₂₀ \| 0 }
6	-y,-x,-z,+1	{ 2_1-10 \| 0 }
7	-x+y,-x,-z+1/2,+1	{ -6⁺₀₀₁ \| 0 0 1/2 }
8	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
9	-y,x-y,-z+1/2,+1	{ -6^-₀₀₁ \| 0 0 1/2 }
10	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
11	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
12	x,x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
15	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
16	x,x-y,-z+1/2,-1	{ 2'₂₁₀ \| 0 0 1/2 }
17	-x+y,y,-z+1/2,-1	{ 2'₁₂₀ \| 0 0 1/2 }
18	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 0 1/2 }
19	-x+y,-x,-z,-1	{ -6'⁺₀₀₁ \| 0 }
20	x,y,-z,-1	{ m'₀₀₁ \| 0 }
21	-y,x-y,-z,-1	{ -6'^-₀₀₁ \| 0 }
22	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
23	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
24	x,x-y,z,-1	{ m'₀₁₀ \| 0 }

[Hide]

Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x,x-y,-z,+1	2₂₁₀
5	-x+y,y,-z,+1	2₁₂₀
6	-y,-x,-z,+1	2_1-10
7	-x+y,-x,-z,+1	-6⁺₀₀₁
8	x,y,-z,+1	m₀₀₁
9	-y,x-y,-z,+1	-6^-₀₀₁
10	-x+y,y,z,+1	m₁₀₀
11	-y,-x,z,+1	m₁₁₀
12	x,x-y,z,+1	m₀₁₀
1' + set click here to show and hide
13	x,y,z,-1	1'
14	-y,x-y,z,-1	3'⁺₀₀₁
15	-x+y,-x,z,-1	3'^-₀₀₁
16	x,x-y,-z,-1	2'₂₁₀
17	-x+y,y,-z,-1	2'₁₂₀
18	-y,-x,-z,-1	2'_1-10
19	-x+y,-x,-z,-1	-6'⁺₀₀₁
20	x,y,-z,-1	m'₀₀₁
21	-y,x-y,-z,-1	-6'^-₀₀₁
22	-x+y,y,z,-1	m'₁₀₀
23	-y,-x,z,-1	m'₁₁₀
24	x,x-y,z,-1	m'₀₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Co1	Co	0.33333	0.66667	0.12268	1.	4	0,0,m_z	0.53(9)	0.53
Co2	Co	0.33333	0.66667	0.20841	1.	4	0,0,m_z	0.54(9)	0.54
Co3	Co	0.66667	0.33333	0.06073	1.	4	0,0,m_z	2.85(7)	2.85

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ba1	Ba	0.00000	0.00000	0.10156	1.	4
Ba2	Ba	0.66667	0.33333	0.17688	1.	4
Ba3	Ba	0.00000	0.00000	0.25000	1.	2
Ba4	Ba	0.33333	0.66667	0.00000	1.	2
Cl1	Cl	0.00000	0.00000	0.00000	1.	2
O1	O	0.49164	0.50836	0.08343	1.	12
O2	O	0.18561	0.81439	0.16665	0.9379	12
O3	O	0.48242	0.51758	0.25000	0.9654	6
O4	O	0.71080	0.28920	0.00000	0.3333	6

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	0.33333	0.66667	0.12268	0,0,m_z	0.00000	0.00000	0.53000
2	0.33333	0.66666	0.87732	0,0,-m_z	0.00000	0.00000	-0.53000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.62268	0,0,-m_z	0.00000	0.00000	-0.53000
4	0.33333	0.66666	0.37732	0,0,m_z	0.00000	0.00000	0.53000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.20841	0,0,m_z	0.00000	0.00000	0.54000
2	0.33333	0.66666	0.79159	0,0,-m_z	0.00000	0.00000	-0.54000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.70841	0,0,-m_z	0.00000	0.00000	-0.54000
4	0.33333	0.66666	0.29159	0,0,m_z	0.00000	0.00000	0.54000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.66667	0.33333	0.06073	0,0,m_z	0.00000	0.00000	2.85000
2	0.66667	0.33334	0.93927	0,0,-m_z	0.00000	0.00000	-2.85000
(0,0,1/2)' + set click here to show and hide
3	0.66667	0.33333	0.56073	0,0,-m_z	0.00000	0.00000	-2.85000
4	0.66667	0.33334	0.43927	0,0,m_z	0.00000	0.00000	2.85000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.00000	0.10156
2	0.00000	0.00000	0.89844
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.60156
4	0.00000	0.00000	0.39844

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.66667	0.33333	0.17688
2	0.66667	0.33334	0.82312
(0,0,1/2)' + set click here to show and hide
3	0.66667	0.33333	0.67688
4	0.66667	0.33334	0.32312

Set of atoms in the unit cell related by symmetry with the atom Ba3:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ba4:

Atom	x	y	z
1	0.33333	0.66667	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.33333	0.66667	0.50000

Set of atoms in the unit cell related by symmetry with the atom Cl1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000

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

Atom	x	y	z
1	0.49164	0.50836	0.08343
2	0.49164	0.98328	0.08343
3	0.01672	0.50836	0.08343
4	0.49164	0.98328	0.91657
5	0.01672	0.50836	0.91657
6	0.49164	0.50836	0.91657
(0,0,1/2)' + set click here to show and hide
7	0.49164	0.50836	0.58343
8	0.49164	0.98328	0.58343
9	0.01672	0.50836	0.58343
10	0.49164	0.98328	0.41657
11	0.01672	0.50836	0.41657
12	0.49164	0.50836	0.41657

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

Atom	x	y	z
1	0.18561	0.81439	0.16665
2	0.18561	0.37122	0.16665
3	0.62878	0.81439	0.16665
4	0.18561	0.37122	0.83335
5	0.62878	0.81439	0.83335
6	0.18561	0.81439	0.83335
(0,0,1/2)' + set click here to show and hide
7	0.18561	0.81439	0.66665
8	0.18561	0.37122	0.66665
9	0.62878	0.81439	0.66665
10	0.18561	0.37122	0.33335
11	0.62878	0.81439	0.33335
12	0.18561	0.81439	0.33335

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.48242	0.51758	0.25000
2	0.48242	0.96484	0.25000
3	0.03516	0.51758	0.25000
(0,0,1/2)' + set click here to show and hide
4	0.48242	0.51758	0.75000
5	0.48242	0.96484	0.75000
6	0.03516	0.51758	0.75000

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.71080	0.28920	0.00000
2	0.71080	0.42160	0.00000
3	0.57840	0.28920	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.71080	0.28920	0.50000
5	0.71080	0.42160	0.50000
6	0.57840	0.28920	0.50000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Co1	Co	0.33333	0.66667	0.12268	4	0,0,m_z	0.53(9)	0.53
Co2	Co	0.33333	0.66667	0.20841	4	0,0,m_z	0.54(9)	0.54
Co3	Co	0.66667	0.33333	0.06073	4	0,0,m_z	2.85(7)	2.85

label	dim. small irrep	dim. full irrep	action	number of modes
mA4	1	1	primary	3

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