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,-y,-z,+1	{ -1 \| 0 }
5	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
6	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
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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 }
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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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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.14680	6	0,0,m_z	0.0	0.0	4.76(3)	4.76
Fe2	Fe	0.00000	0.00000	0.65030	6	0,0,m_z	0.0	0.0	-4.76	4.76

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.29090	0.00090	0.25000	18
O1	O	0.19090	0.99020	0.19280	18
O2	O	0.76700	0.91080	0.70070	18
O3	O	0.24140	0.80230	0.26850	18
O4	O	0.49910	0.87990	0.75560	18
Li1	Li	0.34700	0.03400	0.38400	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.14680	0,0,m_z	0.00000	0.00000	4.76000
2	0.00000	0.00000	0.85320	0,0,m_z	0.00000	0.00000	4.76000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.81347	0,0,m_z	0.00000	0.00000	4.76000
4	0.33333	0.66667	0.51987	0,0,m_z	0.00000	0.00000	4.76000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.48013	0,0,m_z	0.00000	0.00000	4.76000
6	0.66667	0.33333	0.18653	0,0,m_z	0.00000	0.00000	4.76000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.65030	0,0,m_z	0.00000	0.00000	-4.76000
2	0.00000	0.00000	0.34970	0,0,m_z	0.00000	0.00000	-4.76000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.31697	0,0,m_z	0.00000	0.00000	-4.76000
4	0.33333	0.66667	0.01637	0,0,m_z	0.00000	0.00000	-4.76000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.98363	0,0,m_z	0.00000	0.00000	-4.76000
6	0.66667	0.33333	0.68303	0,0,m_z	0.00000	0.00000	-4.76000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.29090	0.00090	0.25000
2	0.99910	0.29000	0.25000
3	0.71000	0.70910	0.25000
4	0.70910	0.99910	0.75000
5	0.00090	0.71000	0.75000
6	0.29000	0.29090	0.75000
(1/3,2/3,2/3) + set click here to show and hide
7	0.62423	0.66757	0.91667
8	0.33243	0.95667	0.91667
9	0.04333	0.37577	0.91667
10	0.04243	0.66577	0.41667
11	0.33423	0.37667	0.41667
12	0.62333	0.95757	0.41667
(2/3,1/3,1/3) + set click here to show and hide
13	0.95757	0.33423	0.58333
14	0.66577	0.62333	0.58333
15	0.37667	0.04243	0.58333
16	0.37577	0.33243	0.08333
17	0.66757	0.04333	0.08333
18	0.95667	0.62423	0.08333

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

Atom	x	y	z
1	0.19090	0.99020	0.19280
2	0.00980	0.20070	0.19280
3	0.79930	0.80910	0.19280
4	0.80910	0.00980	0.80720
5	0.99020	0.79930	0.80720
6	0.20070	0.19090	0.80720
(1/3,2/3,2/3) + set click here to show and hide
7	0.52423	0.65687	0.85947
8	0.34313	0.86737	0.85947
9	0.13263	0.47577	0.85947
10	0.14243	0.67647	0.47387
11	0.32353	0.46597	0.47387
12	0.53403	0.85757	0.47387
(2/3,1/3,1/3) + set click here to show and hide
13	0.85757	0.32353	0.52613
14	0.67647	0.53403	0.52613
15	0.46597	0.14243	0.52613
16	0.47577	0.34313	0.14053
17	0.65687	0.13263	0.14053
18	0.86737	0.52423	0.14053

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

Atom	x	y	z
1	0.76700	0.91080	0.70070
2	0.08920	0.85620	0.70070
3	0.14380	0.23300	0.70070
4	0.23300	0.08920	0.29930
5	0.91080	0.14380	0.29930
6	0.85620	0.76700	0.29930
(1/3,2/3,2/3) + set click here to show and hide
7	0.10033	0.57747	0.36737
8	0.42253	0.52287	0.36737
9	0.47713	0.89967	0.36737
10	0.56633	0.75587	0.96597
11	0.24413	0.81047	0.96597
12	0.18953	0.43367	0.96597
(2/3,1/3,1/3) + set click here to show and hide
13	0.43367	0.24413	0.03403
14	0.75587	0.18953	0.03403
15	0.81047	0.56633	0.03403
16	0.89967	0.42253	0.63263
17	0.57747	0.47713	0.63263
18	0.52287	0.10033	0.63263

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

Atom	x	y	z
1	0.24140	0.80230	0.26850
2	0.19770	0.43910	0.26850
3	0.56090	0.75860	0.26850
4	0.75860	0.19770	0.73150
5	0.80230	0.56090	0.73150
6	0.43910	0.24140	0.73150
(1/3,2/3,2/3) + set click here to show and hide
7	0.57473	0.46897	0.93517
8	0.53103	0.10577	0.93517
9	0.89423	0.42527	0.93517
10	0.09193	0.86437	0.39817
11	0.13563	0.22757	0.39817
12	0.77243	0.90807	0.39817
(2/3,1/3,1/3) + set click here to show and hide
13	0.90807	0.13563	0.60183
14	0.86437	0.77243	0.60183
15	0.22757	0.09193	0.60183
16	0.42527	0.53103	0.06483
17	0.46897	0.89423	0.06483
18	0.10577	0.57473	0.06483

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

Atom	x	y	z
1	0.49910	0.87990	0.75560
2	0.12010	0.61920	0.75560
3	0.38080	0.50090	0.75560
4	0.50090	0.12010	0.24440
5	0.87990	0.38080	0.24440
6	0.61920	0.49910	0.24440
(1/3,2/3,2/3) + set click here to show and hide
7	0.83243	0.54657	0.42227
8	0.45343	0.28587	0.42227
9	0.71413	0.16757	0.42227
10	0.83423	0.78677	0.91107
11	0.21323	0.04747	0.91107
12	0.95253	0.16577	0.91107
(2/3,1/3,1/3) + set click here to show and hide
13	0.16577	0.21323	0.08893
14	0.78677	0.95253	0.08893
15	0.04747	0.83423	0.08893
16	0.16757	0.45343	0.57773
17	0.54657	0.71413	0.57773
18	0.28587	0.83243	0.57773

Set of atoms in the unit cell related by symmetry with the atom Li1:

Atom	x	y	z
1	0.34700	0.03400	0.38400
2	0.96600	0.31300	0.38400
3	0.68700	0.65300	0.38400
4	0.65300	0.96600	0.61600
5	0.03400	0.68700	0.61600
6	0.31300	0.34700	0.61600
(1/3,2/3,2/3) + set click here to show and hide
7	0.68033	0.70067	0.05067
8	0.29933	0.97967	0.05067
9	0.02033	0.31967	0.05067
10	0.98633	0.63267	0.28267
11	0.36733	0.35367	0.28267
12	0.64633	0.01367	0.28267
(2/3,1/3,1/3) + set click here to show and hide
13	0.01367	0.36733	0.71733
14	0.63267	0.64633	0.71733
15	0.35367	0.98633	0.71733
16	0.31967	0.29933	0.94933
17	0.70067	0.02033	0.94933
18	0.97967	0.68033	0.94933

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.14680	6	0,0,m_z	0.0	0.0	4.76(3)	4.76
Fe2	Fe	0.00000	0.00000	0.65030	6	0,0,m_z	0.0	0.0	-4.76	4.76

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	2

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