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+1/3,-y+2/3,-z+1/6,+1	{ 2₁₀₀ \| 1/3 2/3 1/6 }
3	-x,-y,-z,-1	{ -1' \| 0 }
4	-x+y+1/3,y+2/3,z+1/6,-1	{ m'₁₀₀ \| 1/3 2/3 1/6 }
(1/3,2/3,2/3) + set click here to show and hide
5	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
6	x-y+2/3,-y+1/3,-z+5/6,+1	{ 2₁₀₀ \| 2/3 1/3 5/6 }
7	-x+1/3,-y+2/3,-z+2/3,-1	{ -1' \| 1/3 2/3 2/3 }
8	-x+y+2/3,y+1/3,z+5/6,-1	{ m'₁₀₀ \| 2/3 1/3 5/6 }
(2/3,1/3,1/3) + set click here to show and hide
9	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
10	x-y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
11	-x+2/3,-y+1/3,-z+1/3,-1	{ -1' \| 2/3 1/3 1/3 }
12	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }

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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	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mo1	Mo	0.00000	0.00000	0.15920	12	m_x,m_y,m_z	1.521	3.042	0.0	2.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1_1	P	0.37120	0.03310	0.11930	12
P1_2	P	0.96690	0.33810	0.11930	12
P1_3	P	0.66190	0.62880	0.11930	12
Si1	Si	0.00000	0.00000	0.46020	12
O1_1	O	0.28680	0.81780	0.11320	12
O1_2	O	0.18220	0.46900	0.11320	12
O1_3	O	0.53100	0.71320	0.11320	12
O2_1	O	0.22250	0.07510	0.12700	12
O2_2	O	0.92490	0.14740	0.12700	12
O2_3	O	0.85260	0.77750	0.12700	12
O3_1	O	0.52790	0.10250	0.14350	12
O3_2	O	0.89750	0.42540	0.14350	12
O3_3	O	0.57460	0.47210	0.14350	12
O4_1	O	0.78670	0.00000	0.25000	6
O4_2	O	0.00000	0.78670	0.25000	12
O5	O	0.00000	0.00000	0.00000	6

[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 Mo1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.15920	m_x,m_y,m_z	1.52100	3.04200	0.00000
2	0.33333	0.66667	0.00747	m_x-m_y,-m_y,-m_z	-1.52100	-3.04200	0.00000
3	0.00000	0.00000	0.84080	-m_x,-m_y,-m_z	-1.52100	-3.04200	0.00000
4	0.33333	0.66667	0.32587	-m_x+m_y,m_y,m_z	1.52100	3.04200	0.00000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.82587	m_x,m_y,m_z	1.52100	3.04200	0.00000
6	0.66667	0.33333	0.67413	m_x-m_y,-m_y,-m_z	-1.52100	-3.04200	0.00000
7	0.33333	0.66667	0.50747	-m_x,-m_y,-m_z	-1.52100	-3.04200	0.00000
8	0.66667	0.33333	0.99253	-m_x+m_y,m_y,m_z	1.52100	3.04200	0.00000
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.49253	m_x,m_y,m_z	1.52100	3.04200	0.00000
10	0.00000	0.00000	0.34080	m_x-m_y,-m_y,-m_z	-1.52100	-3.04200	0.00000
11	0.66667	0.33333	0.17413	-m_x,-m_y,-m_z	-1.52100	-3.04200	0.00000
12	0.00000	0.00000	0.65920	-m_x+m_y,m_y,m_z	1.52100	3.04200	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1_1:

Atom	x	y	z
1	0.37120	0.03310	0.11930
2	0.67143	0.63357	0.04737
3	0.62880	0.96690	0.88070
4	0.99523	0.69977	0.28597
(1/3,2/3,2/3) + set click here to show and hide
5	0.70453	0.69977	0.78597
6	0.00477	0.30023	0.71403
7	0.96213	0.63357	0.54737
8	0.32857	0.36643	0.95263
(2/3,1/3,1/3) + set click here to show and hide
9	0.03787	0.36643	0.45263
10	0.33810	0.96690	0.38070
11	0.29547	0.30023	0.21403
12	0.66190	0.03310	0.61930

Set of atoms in the unit cell related by symmetry with the atom P1_2:

Atom	x	y	z
1	0.96690	0.33810	0.11930
2	0.96213	0.32857	0.04737
3	0.03310	0.66190	0.88070
4	0.70453	0.00477	0.28597
(1/3,2/3,2/3) + set click here to show and hide
5	0.30023	0.00477	0.78597
6	0.29547	0.99523	0.71403
7	0.36643	0.32857	0.54737
8	0.03787	0.67143	0.95263
(2/3,1/3,1/3) + set click here to show and hide
9	0.63357	0.67143	0.45263
10	0.62880	0.66190	0.38070
11	0.69977	0.99523	0.21403
12	0.37120	0.33810	0.61930

Set of atoms in the unit cell related by symmetry with the atom P1_3:

Atom	x	y	z
1	0.66190	0.62880	0.11930
2	0.36643	0.03787	0.04737
3	0.33810	0.37120	0.88070
4	0.30023	0.29547	0.28597
(1/3,2/3,2/3) + set click here to show and hide
5	0.99523	0.29547	0.78597
6	0.69977	0.70453	0.71403
7	0.67143	0.03787	0.54737
8	0.63357	0.96213	0.95263
(2/3,1/3,1/3) + set click here to show and hide
9	0.32857	0.96213	0.45263
10	0.03310	0.37120	0.38070
11	0.00477	0.70453	0.21403
12	0.96690	0.62880	0.61930

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.00000	0.00000	0.46020
2	0.33333	0.66667	0.70647
3	0.00000	0.00000	0.53980
4	0.33333	0.66667	0.62687
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.12687
6	0.66667	0.33333	0.37313
7	0.33333	0.66667	0.20647
8	0.66667	0.33333	0.29353
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.79353
10	0.00000	0.00000	0.03980
11	0.66667	0.33333	0.87313
12	0.00000	0.00000	0.96020

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

Atom	x	y	z
1	0.28680	0.81780	0.11320
2	0.80233	0.84887	0.05347
3	0.71320	0.18220	0.88680
4	0.86433	0.48447	0.27987
(1/3,2/3,2/3) + set click here to show and hide
5	0.62013	0.48447	0.77987
6	0.13567	0.51553	0.72013
7	0.04653	0.84887	0.55347
8	0.19767	0.15113	0.94653
(2/3,1/3,1/3) + set click here to show and hide
9	0.95347	0.15113	0.44653
10	0.46900	0.18220	0.38680
11	0.37987	0.51553	0.22013
12	0.53100	0.81780	0.61320

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

Atom	x	y	z
1	0.18220	0.46900	0.11320
2	0.04653	0.19767	0.05347
3	0.81780	0.53100	0.88680
4	0.62013	0.13567	0.27987
(1/3,2/3,2/3) + set click here to show and hide
5	0.51553	0.13567	0.77987
6	0.37987	0.86433	0.72013
7	0.15113	0.19767	0.55347
8	0.95347	0.80233	0.94653
(2/3,1/3,1/3) + set click here to show and hide
9	0.84887	0.80233	0.44653
10	0.71320	0.53100	0.38680
11	0.48447	0.86433	0.22013
12	0.28680	0.46900	0.61320

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

Atom	x	y	z
1	0.53100	0.71320	0.11320
2	0.15113	0.95347	0.05347
3	0.46900	0.28680	0.88680
4	0.51553	0.37987	0.27987
(1/3,2/3,2/3) + set click here to show and hide
5	0.86433	0.37987	0.77987
6	0.48447	0.62013	0.72013
7	0.80233	0.95347	0.55347
8	0.84887	0.04653	0.94653
(2/3,1/3,1/3) + set click here to show and hide
9	0.19767	0.04653	0.44653
10	0.81780	0.28680	0.38680
11	0.13567	0.62013	0.22013
12	0.18220	0.71320	0.61320

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.22250	0.07510	0.12700
2	0.48073	0.59157	0.03967
3	0.77750	0.92490	0.87300
4	0.18593	0.74177	0.29367
(1/3,2/3,2/3) + set click here to show and hide
5	0.55583	0.74177	0.79367
6	0.81407	0.25823	0.70633
7	0.11083	0.59157	0.53967
8	0.51927	0.40843	0.96033
(2/3,1/3,1/3) + set click here to show and hide
9	0.88917	0.40843	0.46033
10	0.14740	0.92490	0.37300
11	0.44417	0.25823	0.20633
12	0.85260	0.07510	0.62700

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.92490	0.14740	0.12700
2	0.11083	0.51927	0.03967
3	0.07510	0.85260	0.87300
4	0.55583	0.81407	0.29367
(1/3,2/3,2/3) + set click here to show and hide
5	0.25823	0.81407	0.79367
6	0.44417	0.18593	0.70633
7	0.40843	0.51927	0.53967
8	0.88917	0.48073	0.96033
(2/3,1/3,1/3) + set click here to show and hide
9	0.59157	0.48073	0.46033
10	0.77750	0.85260	0.37300
11	0.74177	0.18593	0.20633
12	0.22250	0.14740	0.62700

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.85260	0.77750	0.12700
2	0.40843	0.88917	0.03967
3	0.14740	0.22250	0.87300
4	0.25823	0.44417	0.29367
(1/3,2/3,2/3) + set click here to show and hide
5	0.18593	0.44417	0.79367
6	0.74177	0.55583	0.70633
7	0.48073	0.88917	0.53967
8	0.59157	0.11083	0.96033
(2/3,1/3,1/3) + set click here to show and hide
9	0.51927	0.11083	0.46033
10	0.07510	0.22250	0.37300
11	0.81407	0.55583	0.20633
12	0.92490	0.77750	0.62700

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

Atom	x	y	z
1	0.52790	0.10250	0.14350
2	0.75873	0.56417	0.02317
3	0.47210	0.89750	0.85650
4	0.90793	0.76917	0.31017
(1/3,2/3,2/3) + set click here to show and hide
5	0.86123	0.76917	0.81017
6	0.09207	0.23083	0.68983
7	0.80543	0.56417	0.52317
8	0.24127	0.43583	0.97683
(2/3,1/3,1/3) + set click here to show and hide
9	0.19457	0.43583	0.47683
10	0.42540	0.89750	0.35650
11	0.13877	0.23083	0.18983
12	0.57460	0.10250	0.64350

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

Atom	x	y	z
1	0.89750	0.42540	0.14350
2	0.80543	0.24127	0.02317
3	0.10250	0.57460	0.85650
4	0.86123	0.09207	0.31017
(1/3,2/3,2/3) + set click here to show and hide
5	0.23083	0.09207	0.81017
6	0.13877	0.90793	0.68983
7	0.43583	0.24127	0.52317
8	0.19457	0.75873	0.97683
(2/3,1/3,1/3) + set click here to show and hide
9	0.56417	0.75873	0.47683
10	0.47210	0.57460	0.35650
11	0.76917	0.90793	0.18983
12	0.52790	0.42540	0.64350

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.57460	0.47210	0.14350
2	0.43583	0.19457	0.02317
3	0.42540	0.52790	0.85650
4	0.23083	0.13877	0.31017
(1/3,2/3,2/3) + set click here to show and hide
5	0.90793	0.13877	0.81017
6	0.76917	0.86123	0.68983
7	0.75873	0.19457	0.52317
8	0.56417	0.80543	0.97683
(2/3,1/3,1/3) + set click here to show and hide
9	0.24127	0.80543	0.47683
10	0.10250	0.52790	0.35650
11	0.09207	0.86123	0.18983
12	0.89750	0.47210	0.64350

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.78670	0.00000	0.25000
2	0.21330	0.00000	0.75000
(1/3,2/3,2/3) + set click here to show and hide
3	0.12003	0.66667	0.91667
4	0.54663	0.66667	0.41667
(2/3,1/3,1/3) + set click here to show and hide
5	0.45337	0.33333	0.58333
6	0.87997	0.33333	0.08333

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.00000	0.78670	0.25000
2	0.54663	0.87997	0.91667
3	0.00000	0.21330	0.75000
4	0.12003	0.45337	0.41667
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.45337	0.91667
6	0.87997	0.54663	0.58333
7	0.33333	0.87997	0.41667
8	0.45337	0.12003	0.08333
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.12003	0.58333
10	0.21330	0.21330	0.25000
11	0.66667	0.54663	0.08333
12	0.78670	0.78670	0.75000

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

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mo1	Mo	0.00000	0.00000	0.15920	12	m_x,m_y,m_z	1.521	3.042	0.0	2.63

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM3-	2	2	special	primary	2
mGM1-	1	1		secondary	1	no

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

MoP₃SiO₁₁ (#0.728)

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

MoP3SiO11 (#0.728)

MoP₃SiO₁₁ (#0.728)