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,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
(1/3,2/3,1/3) + set click here to show and hide
5	x+1/3,y+2/3,z+1/3,+1	{ 1 \| 1/3 2/3 1/3 }
6	x-y+1/3,-y+2/3,-z+5/6,+1	{ 2₁₀₀ \| 1/3 2/3 5/6 }
7	-x+1/3,-y+2/3,-z+1/3,+1	{ -1 \| 1/3 2/3 1/3 }
8	-x+y+1/3,y+2/3,z+5/6,+1	{ m₁₀₀ \| 1/3 2/3 5/6 }
(2/3,1/3,2/3) + set click here to show and hide
9	x+2/3,y+1/3,z+2/3,+1	{ 1 \| 2/3 1/3 2/3 }
10	x-y+2/3,-y+1/3,-z+1/6,+1	{ 2₁₀₀ \| 2/3 1/3 1/6 }
11	-x+2/3,-y+1/3,-z+2/3,+1	{ -1 \| 2/3 1/3 2/3 }
12	-x+y+2/3,y+1/3,z+1/6,+1	{ m₁₀₀ \| 2/3 1/3 1/6 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
15	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
16	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
(1/3,2/3,5/6)' + set click here to show and hide
17	x+1/3,y+2/3,z+5/6,-1	{ 1' \| 1/3 2/3 5/6 }
18	x-y+1/3,-y+2/3,-z+1/3,-1	{ 2'₁₀₀ \| 1/3 2/3 1/3 }
19	-x+1/3,-y+2/3,-z+5/6,-1	{ -1' \| 1/3 2/3 5/6 }
20	-x+y+1/3,y+2/3,z+1/3,-1	{ m'₁₀₀ \| 1/3 2/3 1/3 }
(2/3,1/3,1/6)' + set click here to show and hide
21	x+2/3,y+1/3,z+1/6,-1	{ 1' \| 2/3 1/3 1/6 }
22	x-y+2/3,-y+1/3,-z+2/3,-1	{ 2'₁₀₀ \| 2/3 1/3 2/3 }
23	-x+2/3,-y+1/3,-z+1/6,-1	{ -1' \| 2/3 1/3 1/6 }
24	-x+y+2/3,y+1/3,z+2/3,-1	{ m'₁₀₀ \| 2/3 1/3 2/3 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x+y,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x-y,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x+y,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co3	Co	0.00000	0.00000	0.1164	12	m_x,2m_x,m_z	1.62(2)	3.24	0.35(10)	2.83
Co5	Co	0.00000	0.00000	0.00000	6	m_x,2m_x,m_z	1.03(2)	2.06	-0.35(10)	1.82

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Co1	Co	0.00000	0.00000	0.29420	12
Co2	Co	0.00000	0.00000	0.25000	6
Co4_1	Co	0.50000	0.00000	0.00000	6
Co4_2	Co	0.00000	0.50000	0.00000	12
Ba1	Ba	0.00000	0.00000	0.44175	12
O1_1	O	0.15060	0.84940	0.22815	24
O1_2	O	0.15060	0.30120	0.22815	12
O2	O	0.00000	0.00000	0.34980	12
O3_1	O	0.48510	0.51490	0.14770	24
O3_2	O	0.48510	0.97020	0.14770	12

[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 Co3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.11640	m_x,2m_x,m_z	1.62000	3.24000	0.35000
2	0.00000	0.00000	0.38360	-m_x,-2m_x,-m_z	-1.62000	-3.24000	-0.35000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.44973	m_x,2m_x,m_z	1.62000	3.24000	0.35000
4	0.33333	0.66667	0.71693	-m_x,-2m_x,-m_z	-1.62000	-3.24000	-0.35000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.78307	m_x,2m_x,m_z	1.62000	3.24000	0.35000
6	0.66667	0.33333	0.05027	-m_x,-2m_x,-m_z	-1.62000	-3.24000	-0.35000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.61640	-m_x,-2m_x,-m_z	-1.62000	-3.24000	-0.35000
8	0.00000	0.00000	0.88360	m_x,2m_x,m_z	1.62000	3.24000	0.35000
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.94973	-m_x,-2m_x,-m_z	-1.62000	-3.24000	-0.35000
10	0.33333	0.66667	0.21693	m_x,2m_x,m_z	1.62000	3.24000	0.35000
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.28307	-m_x,-2m_x,-m_z	-1.62000	-3.24000	-0.35000
12	0.66667	0.33333	0.55027	m_x,2m_x,m_z	1.62000	3.24000	0.35000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,2m_x,m_z	1.03000	2.06000	-0.35000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	m_x,2m_x,m_z	1.03000	2.06000	-0.35000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	m_x,2m_x,m_z	1.03000	2.06000	-0.35000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000	-m_x,-2m_x,-m_z	-1.03000	-2.06000	0.35000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83333	-m_x,-2m_x,-m_z	-1.03000	-2.06000	0.35000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.16667	-m_x,-2m_x,-m_z	-1.03000	-2.06000	0.35000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Co1:

Atom	x	y	z
1	0.00000	0.00000	0.29420
2	0.00000	0.00000	0.20580
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.62753
4	0.33333	0.66667	0.53913
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.96087
6	0.66667	0.33333	0.87247
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.79420
8	0.00000	0.00000	0.70580
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.12753
10	0.33333	0.66667	0.03913
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.46087
12	0.66667	0.33333	0.37247

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

Atom	x	y	z
1	0.00000	0.00000	0.25000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.58333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.08333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.41667

Set of atoms in the unit cell related by symmetry with the atom Co4_1:

Atom	x	y	z
1	0.50000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.83333	0.66667	0.33333
(2/3,1/3,2/3) + set click here to show and hide
3	0.16667	0.33333	0.66667
(0,0,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.50000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.83333	0.66667	0.83333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.16667	0.33333	0.16667

Set of atoms in the unit cell related by symmetry with the atom Co4_2:

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

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

Atom	x	y	z
1	0.00000	0.00000	0.44175
2	0.00000	0.00000	0.05825
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.77508
4	0.33333	0.66667	0.39158
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.10842
6	0.66667	0.33333	0.72492
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.94175
8	0.00000	0.00000	0.55825
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.27508
10	0.33333	0.66667	0.89158
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.60842
12	0.66667	0.33333	0.22492

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

Atom	x	y	z
1	0.15060	0.84940	0.22815
2	0.30120	0.15060	0.27185
3	0.84940	0.15060	0.77185
4	0.69880	0.84940	0.72815
(1/3,2/3,1/3) + set click here to show and hide
5	0.48393	0.51607	0.56148
6	0.63453	0.81727	0.60518
7	0.18273	0.81727	0.10518
8	0.03213	0.51607	0.06148
(2/3,1/3,2/3) + set click here to show and hide
9	0.81727	0.18273	0.89482
10	0.96787	0.48393	0.93852
11	0.51607	0.48393	0.43852
12	0.36547	0.18273	0.39482
(0,0,1/2)' + set click here to show and hide
13	0.15060	0.84940	0.72815
14	0.30120	0.15060	0.77185
15	0.84940	0.15060	0.27185
16	0.69880	0.84940	0.22815
(1/3,2/3,5/6)' + set click here to show and hide
17	0.48393	0.51607	0.06148
18	0.63453	0.81727	0.10518
19	0.18273	0.81727	0.60518
20	0.03213	0.51607	0.56148
(2/3,1/3,1/6)' + set click here to show and hide
21	0.81727	0.18273	0.39482
22	0.96787	0.48393	0.43852
23	0.51607	0.48393	0.93852
24	0.36547	0.18273	0.89482

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

Atom	x	y	z
1	0.15060	0.30120	0.22815
2	0.84940	0.69880	0.27185
(1/3,2/3,1/3) + set click here to show and hide
3	0.48393	0.96787	0.56148
4	0.18273	0.36547	0.60518
(2/3,1/3,2/3) + set click here to show and hide
5	0.81727	0.63453	0.89482
6	0.51607	0.03213	0.93852
(0,0,1/2)' + set click here to show and hide
7	0.15060	0.30120	0.72815
8	0.84940	0.69880	0.77185
(1/3,2/3,5/6)' + set click here to show and hide
9	0.48393	0.96787	0.06148
10	0.18273	0.36547	0.10518
(2/3,1/3,1/6)' + set click here to show and hide
11	0.81727	0.63453	0.39482
12	0.51607	0.03213	0.43852

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

Atom	x	y	z
1	0.00000	0.00000	0.34980
2	0.00000	0.00000	0.15020
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.68313
4	0.33333	0.66667	0.48353
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.01647
6	0.66667	0.33333	0.81687
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.84980
8	0.00000	0.00000	0.65020
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.18313
10	0.33333	0.66667	0.98353
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.51647
12	0.66667	0.33333	0.31687

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.48510	0.51490	0.14770
2	0.97020	0.48510	0.35230
3	0.51490	0.48510	0.85230
4	0.02980	0.51490	0.64770
(1/3,2/3,1/3) + set click here to show and hide
5	0.81843	0.18157	0.48103
6	0.30353	0.15177	0.68563
7	0.84823	0.15177	0.18563
8	0.36313	0.18157	0.98103
(2/3,1/3,2/3) + set click here to show and hide
9	0.15177	0.84823	0.81437
10	0.63687	0.81843	0.01897
11	0.18157	0.81843	0.51897
12	0.69647	0.84823	0.31437
(0,0,1/2)' + set click here to show and hide
13	0.48510	0.51490	0.64770
14	0.97020	0.48510	0.85230
15	0.51490	0.48510	0.35230
16	0.02980	0.51490	0.14770
(1/3,2/3,5/6)' + set click here to show and hide
17	0.81843	0.18157	0.98103
18	0.30353	0.15177	0.18563
19	0.84823	0.15177	0.68563
20	0.36313	0.18157	0.48103
(2/3,1/3,1/6)' + set click here to show and hide
21	0.15177	0.84823	0.31437
22	0.63687	0.81843	0.51897
23	0.18157	0.81843	0.01897
24	0.69647	0.84823	0.81437

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.48510	0.97020	0.14770
2	0.51490	0.02980	0.35230
(1/3,2/3,1/3) + set click here to show and hide
3	0.81843	0.63687	0.48103
4	0.84823	0.69647	0.68563
(2/3,1/3,2/3) + set click here to show and hide
5	0.15177	0.30353	0.81437
6	0.18157	0.36313	0.01897
(0,0,1/2)' + set click here to show and hide
7	0.48510	0.97020	0.64770
8	0.51490	0.02980	0.85230
(1/3,2/3,5/6)' + set click here to show and hide
9	0.81843	0.63687	0.98103
10	0.84823	0.69647	0.18563
(2/3,1/3,1/6)' + set click here to show and hide
11	0.15177	0.30353	0.31437
12	0.18157	0.36313	0.51897

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co3	Co	0.00000	0.00000	0.1164	12	m_x,2m_x,m_z	1.62(2)	3.24	0.35(10)	2.83
Co5	Co	0.00000	0.00000	0.00000	6	m_x,2m_x,m_z	1.03(2)	2.06	-0.35(10)	1.82

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mT3	2	2	special	primary	2
mT2	1	1	,	secondary	2	yes

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

Ba₂Co₉O₁₄ (#1.343)

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

Ba2Co9O14 (#1.343)

Ba₂Co₉O₁₄ (#1.343)