MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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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,-y,-z,-1	{ -1' \| 0 }
5	y,-x+y,-z,-1	{ -3'⁺₀₀₁ \| 0 }
6	x-y,x,-z,-1	{ -3'^-₀₀₁ \| 0 }
(1/3,2/3,2/3) + set click here to show and hide
7	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
8	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
9	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
10	-x+1/3,-y+2/3,-z+2/3,-1	{ -1' \| 1/3 2/3 2/3 }
11	y+1/3,-x+y+2/3,-z+2/3,-1	{ -3'⁺₀₀₁ \| 1/3 2/3 2/3 }
12	x-y+1/3,x+2/3,-z+2/3,-1	{ -3'^-₀₀₁ \| 1/3 2/3 2/3 }
(2/3,1/3,1/3) + set click here to show and hide
13	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
14	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
15	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
16	-x+2/3,-y+1/3,-z+1/3,-1	{ -1' \| 2/3 1/3 1/3 }
17	y+2/3,-x+y+1/3,-z+1/3,-1	{ -3'⁺₀₀₁ \| 2/3 1/3 1/3 }
18	x-y+2/3,x+1/3,-z+1/3,-1	{ -3'^-₀₀₁ \| 2/3 1/3 1/3 }

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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

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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	0.74394	6	0,0,m_z	0.0	0.0	4.4(1)	4.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Te1	Te	0.82098	0.57032	0.23853	18
Te2	Te	0.60412	0.50376	0.92402	18
O1	O	0.00000	0.00000	0.91160	6
O2	O	0.74975	0.54145	0.14363	18
O3	O	0.61543	0.47555	0.01820	18
O4	O	0.80003	0.51626	0.89883	18
O5	O	0.66347	0.58736	0.28976	18

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	0.74394	0,0,m_z	0.00000	0.00000	4.40000
2	0.00000	0.00000	0.25606	0,0,-m_z	0.00000	0.00000	-4.40000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.41061	0,0,m_z	0.00000	0.00000	4.40000
4	0.33333	0.66667	0.92273	0,0,-m_z	0.00000	0.00000	-4.40000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.07727	0,0,m_z	0.00000	0.00000	4.40000
6	0.66667	0.33333	0.58939	0,0,-m_z	0.00000	0.00000	-4.40000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Te1:

Atom	x	y	z
1	0.82098	0.57032	0.23853
2	0.42968	0.25066	0.23853
3	0.74934	0.17902	0.23853
4	0.17902	0.42968	0.76147
5	0.57032	0.74934	0.76147
6	0.25066	0.82098	0.76147
(1/3,2/3,2/3) + set click here to show and hide
7	0.15431	0.23699	0.90520
8	0.76301	0.91733	0.90520
9	0.08267	0.84569	0.90520
10	0.51235	0.09635	0.42814
11	0.90365	0.41601	0.42814
12	0.58399	0.48765	0.42814
(2/3,1/3,1/3) + set click here to show and hide
13	0.48765	0.90365	0.57186
14	0.09635	0.58399	0.57186
15	0.41601	0.51235	0.57186
16	0.84569	0.76301	0.09480
17	0.23699	0.08267	0.09480
18	0.91733	0.15431	0.09480

Set of atoms in the unit cell related by symmetry with the atom Te2:

Atom	x	y	z
1	0.60412	0.50376	0.92402
2	0.49624	0.10036	0.92402
3	0.89964	0.39588	0.92402
4	0.39588	0.49624	0.07598
5	0.50376	0.89964	0.07598
6	0.10036	0.60412	0.07598
(1/3,2/3,2/3) + set click here to show and hide
7	0.93745	0.17043	0.59069
8	0.82957	0.76703	0.59069
9	0.23297	0.06255	0.59069
10	0.72921	0.16291	0.74265
11	0.83709	0.56631	0.74265
12	0.43369	0.27079	0.74265
(2/3,1/3,1/3) + set click here to show and hide
13	0.27079	0.83709	0.25735
14	0.16291	0.43369	0.25735
15	0.56631	0.72921	0.25735
16	0.06255	0.82957	0.40931
17	0.17043	0.23297	0.40931
18	0.76703	0.93745	0.40931

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

Atom	x	y	z
1	0.00000	0.00000	0.91160
2	0.00000	0.00000	0.08840
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.57827
4	0.33333	0.66667	0.75507
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.24493
6	0.66667	0.33333	0.42173

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

Atom	x	y	z
1	0.74975	0.54145	0.14363
2	0.45855	0.20830	0.14363
3	0.79170	0.25025	0.14363
4	0.25025	0.45855	0.85637
5	0.54145	0.79170	0.85637
6	0.20830	0.74975	0.85637
(1/3,2/3,2/3) + set click here to show and hide
7	0.08308	0.20812	0.81030
8	0.79188	0.87497	0.81030
9	0.12503	0.91692	0.81030
10	0.58358	0.12522	0.52304
11	0.87478	0.45837	0.52304
12	0.54163	0.41642	0.52304
(2/3,1/3,1/3) + set click here to show and hide
13	0.41642	0.87478	0.47696
14	0.12522	0.54163	0.47696
15	0.45837	0.58358	0.47696
16	0.91692	0.79188	0.18970
17	0.20812	0.12503	0.18970
18	0.87497	0.08308	0.18970

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

Atom	x	y	z
1	0.61543	0.47555	0.01820
2	0.52445	0.13988	0.01820
3	0.86012	0.38457	0.01820
4	0.38457	0.52445	0.98180
5	0.47555	0.86012	0.98180
6	0.13988	0.61543	0.98180
(1/3,2/3,2/3) + set click here to show and hide
7	0.94876	0.14222	0.68487
8	0.85778	0.80655	0.68487
9	0.19345	0.05124	0.68487
10	0.71790	0.19112	0.64847
11	0.80888	0.52679	0.64847
12	0.47321	0.28210	0.64847
(2/3,1/3,1/3) + set click here to show and hide
13	0.28210	0.80888	0.35153
14	0.19112	0.47321	0.35153
15	0.52679	0.71790	0.35153
16	0.05124	0.85778	0.31513
17	0.14222	0.19345	0.31513
18	0.80655	0.94876	0.31513

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

Atom	x	y	z
1	0.80003	0.51626	0.89883
2	0.48374	0.28377	0.89883
3	0.71623	0.19997	0.89883
4	0.19997	0.48374	0.10117
5	0.51626	0.71623	0.10117
6	0.28377	0.80003	0.10117
(1/3,2/3,2/3) + set click here to show and hide
7	0.13336	0.18293	0.56550
8	0.81707	0.95044	0.56550
9	0.04956	0.86664	0.56550
10	0.53330	0.15041	0.76784
11	0.84959	0.38290	0.76784
12	0.61710	0.46670	0.76784
(2/3,1/3,1/3) + set click here to show and hide
13	0.46670	0.84959	0.23216
14	0.15041	0.61710	0.23216
15	0.38290	0.53330	0.23216
16	0.86664	0.81707	0.43450
17	0.18293	0.04956	0.43450
18	0.95044	0.13336	0.43450

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.66347	0.58736	0.28976
2	0.41264	0.07611	0.28976
3	0.92389	0.33653	0.28976
4	0.33653	0.41264	0.71024
5	0.58736	0.92389	0.71024
6	0.07611	0.66347	0.71024
(1/3,2/3,2/3) + set click here to show and hide
7	0.99680	0.25403	0.95643
8	0.74597	0.74278	0.95643
9	0.25722	0.00320	0.95643
10	0.66986	0.07931	0.37691
11	0.92069	0.59056	0.37691
12	0.40944	0.33014	0.37691
(2/3,1/3,1/3) + set click here to show and hide
13	0.33014	0.92069	0.62309
14	0.07931	0.40944	0.62309
15	0.59056	0.66986	0.62309
16	0.00320	0.74597	0.04357
17	0.25403	0.25722	0.04357
18	0.74278	0.99680	0.04357

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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	0.74394	6	0,0,m_z	0.0	0.0	4.4(1)	4.40

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	1

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