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\|
Mo	Mo	0.00000	0.00000	0.15931	12	m_x,m_y,m_z	1.52075	3.0415	0.0	2.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P_1	P	0.37020	0.03230	0.11898	12
P_2	P	0.96770	0.33790	0.11898	12
P_3	P	0.66210	0.62980	0.11898	12
Si	Si	0.00000	0.00000	0.46073	12
O1_1	O	0.28790	0.81800	0.11336	12
O1_2	O	0.18200	0.46990	0.11336	12
O1_3	O	0.53010	0.71210	0.11336	12
O2_1	O	0.22370	0.07500	0.12708	12
O2_2	O	0.92500	0.14870	0.12708	12
O2_3	O	0.85130	0.77630	0.12708	12
O3_1	O	0.52820	0.10480	0.14336	12
O3_2	O	0.89520	0.42340	0.14336	12
O3_3	O	0.57660	0.47180	0.14336	12
O4_1	O	0.45240	0.00000	0.25000	6
O4_2	O	0.00000	0.45240	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 Mo:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.15931	m_x,m_y,m_z	1.52075	3.04150	0.00000
2	0.33333	0.66667	0.00736	m_x-m_y,-m_y,-m_z	-1.52075	-3.04150	0.00000
3	0.00000	0.00000	0.84069	-m_x,-m_y,-m_z	-1.52075	-3.04150	0.00000
4	0.33333	0.66667	0.32598	-m_x+m_y,m_y,m_z	1.52075	3.04150	0.00000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.82598	m_x,m_y,m_z	1.52075	3.04150	0.00000
6	0.66667	0.33333	0.67402	m_x-m_y,-m_y,-m_z	-1.52075	-3.04150	0.00000
7	0.33333	0.66667	0.50736	-m_x,-m_y,-m_z	-1.52075	-3.04150	0.00000
8	0.66667	0.33333	0.99264	-m_x+m_y,m_y,m_z	1.52075	3.04150	0.00000
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.49264	m_x,m_y,m_z	1.52075	3.04150	0.00000
10	0.00000	0.00000	0.34069	m_x-m_y,-m_y,-m_z	-1.52075	-3.04150	0.00000
11	0.66667	0.33333	0.17402	-m_x,-m_y,-m_z	-1.52075	-3.04150	0.00000
12	0.00000	0.00000	0.65931	-m_x+m_y,m_y,m_z	1.52075	3.04150	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P_1:

Atom	x	y	z
1	0.37020	0.03230	0.11898
2	0.67123	0.63437	0.04769
3	0.62980	0.96770	0.88102
4	0.99543	0.69897	0.28565
(1/3,2/3,2/3) + set click here to show and hide
5	0.70353	0.69897	0.78565
6	0.00457	0.30103	0.71435
7	0.96313	0.63437	0.54769
8	0.32877	0.36563	0.95231
(2/3,1/3,1/3) + set click here to show and hide
9	0.03687	0.36563	0.45231
10	0.33790	0.96770	0.38102
11	0.29647	0.30103	0.21435
12	0.66210	0.03230	0.61898

Set of atoms in the unit cell related by symmetry with the atom P_2:

Atom	x	y	z
1	0.96770	0.33790	0.11898
2	0.96313	0.32877	0.04769
3	0.03230	0.66210	0.88102
4	0.70353	0.00457	0.28565
(1/3,2/3,2/3) + set click here to show and hide
5	0.30103	0.00457	0.78565
6	0.29647	0.99543	0.71435
7	0.36563	0.32877	0.54769
8	0.03687	0.67123	0.95231
(2/3,1/3,1/3) + set click here to show and hide
9	0.63437	0.67123	0.45231
10	0.62980	0.66210	0.38102
11	0.69897	0.99543	0.21435
12	0.37020	0.33790	0.61898

Set of atoms in the unit cell related by symmetry with the atom P_3:

Atom	x	y	z
1	0.66210	0.62980	0.11898
2	0.36563	0.03687	0.04769
3	0.33790	0.37020	0.88102
4	0.30103	0.29647	0.28565
(1/3,2/3,2/3) + set click here to show and hide
5	0.99543	0.29647	0.78565
6	0.69897	0.70353	0.71435
7	0.67123	0.03687	0.54769
8	0.63437	0.96313	0.95231
(2/3,1/3,1/3) + set click here to show and hide
9	0.32877	0.96313	0.45231
10	0.03230	0.37020	0.38102
11	0.00457	0.70353	0.21435
12	0.96770	0.62980	0.61898

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

Atom	x	y	z
1	0.00000	0.00000	0.46073
2	0.33333	0.66667	0.70594
3	0.00000	0.00000	0.53927
4	0.33333	0.66667	0.62740
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.12740
6	0.66667	0.33333	0.37260
7	0.33333	0.66667	0.20594
8	0.66667	0.33333	0.29406
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.79406
10	0.00000	0.00000	0.03927
11	0.66667	0.33333	0.87260
12	0.00000	0.00000	0.96073

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

Atom	x	y	z
1	0.28790	0.81800	0.11336
2	0.80323	0.84867	0.05331
3	0.71210	0.18200	0.88664
4	0.86343	0.48467	0.28003
(1/3,2/3,2/3) + set click here to show and hide
5	0.62123	0.48467	0.78003
6	0.13657	0.51533	0.71997
7	0.04543	0.84867	0.55331
8	0.19677	0.15133	0.94669
(2/3,1/3,1/3) + set click here to show and hide
9	0.95457	0.15133	0.44669
10	0.46990	0.18200	0.38664
11	0.37877	0.51533	0.21997
12	0.53010	0.81800	0.61336

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

Atom	x	y	z
1	0.18200	0.46990	0.11336
2	0.04543	0.19677	0.05331
3	0.81800	0.53010	0.88664
4	0.62123	0.13657	0.28003
(1/3,2/3,2/3) + set click here to show and hide
5	0.51533	0.13657	0.78003
6	0.37877	0.86343	0.71997
7	0.15133	0.19677	0.55331
8	0.95457	0.80323	0.94669
(2/3,1/3,1/3) + set click here to show and hide
9	0.84867	0.80323	0.44669
10	0.71210	0.53010	0.38664
11	0.48467	0.86343	0.21997
12	0.28790	0.46990	0.61336

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

Atom	x	y	z
1	0.53010	0.71210	0.11336
2	0.15133	0.95457	0.05331
3	0.46990	0.28790	0.88664
4	0.51533	0.37877	0.28003
(1/3,2/3,2/3) + set click here to show and hide
5	0.86343	0.37877	0.78003
6	0.48467	0.62123	0.71997
7	0.80323	0.95457	0.55331
8	0.84867	0.04543	0.94669
(2/3,1/3,1/3) + set click here to show and hide
9	0.19677	0.04543	0.44669
10	0.81800	0.28790	0.38664
11	0.13657	0.62123	0.21997
12	0.18200	0.71210	0.61336

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

Atom	x	y	z
1	0.22370	0.07500	0.12708
2	0.48203	0.59167	0.03959
3	0.77630	0.92500	0.87292
4	0.18463	0.74167	0.29375
(1/3,2/3,2/3) + set click here to show and hide
5	0.55703	0.74167	0.79375
6	0.81537	0.25833	0.70625
7	0.10963	0.59167	0.53959
8	0.51797	0.40833	0.96041
(2/3,1/3,1/3) + set click here to show and hide
9	0.89037	0.40833	0.46041
10	0.14870	0.92500	0.37292
11	0.44297	0.25833	0.20625
12	0.85130	0.07500	0.62708

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

Atom	x	y	z
1	0.92500	0.14870	0.12708
2	0.10963	0.51797	0.03959
3	0.07500	0.85130	0.87292
4	0.55703	0.81537	0.29375
(1/3,2/3,2/3) + set click here to show and hide
5	0.25833	0.81537	0.79375
6	0.44297	0.18463	0.70625
7	0.40833	0.51797	0.53959
8	0.89037	0.48203	0.96041
(2/3,1/3,1/3) + set click here to show and hide
9	0.59167	0.48203	0.46041
10	0.77630	0.85130	0.37292
11	0.74167	0.18463	0.20625
12	0.22370	0.14870	0.62708

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

Atom	x	y	z
1	0.85130	0.77630	0.12708
2	0.40833	0.89037	0.03959
3	0.14870	0.22370	0.87292
4	0.25833	0.44297	0.29375
(1/3,2/3,2/3) + set click here to show and hide
5	0.18463	0.44297	0.79375
6	0.74167	0.55703	0.70625
7	0.48203	0.89037	0.53959
8	0.59167	0.10963	0.96041
(2/3,1/3,1/3) + set click here to show and hide
9	0.51797	0.10963	0.46041
10	0.07500	0.22370	0.37292
11	0.81537	0.55703	0.20625
12	0.92500	0.77630	0.62708

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

Atom	x	y	z
1	0.52820	0.10480	0.14336
2	0.75673	0.56187	0.02331
3	0.47180	0.89520	0.85664
4	0.90993	0.77147	0.31003
(1/3,2/3,2/3) + set click here to show and hide
5	0.86153	0.77147	0.81003
6	0.09007	0.22853	0.68997
7	0.80513	0.56187	0.52331
8	0.24327	0.43813	0.97669
(2/3,1/3,1/3) + set click here to show and hide
9	0.19487	0.43813	0.47669
10	0.42340	0.89520	0.35664
11	0.13847	0.22853	0.18997
12	0.57660	0.10480	0.64336

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

Atom	x	y	z
1	0.89520	0.42340	0.14336
2	0.80513	0.24327	0.02331
3	0.10480	0.57660	0.85664
4	0.86153	0.09007	0.31003
(1/3,2/3,2/3) + set click here to show and hide
5	0.22853	0.09007	0.81003
6	0.13847	0.90993	0.68997
7	0.43813	0.24327	0.52331
8	0.19487	0.75673	0.97669
(2/3,1/3,1/3) + set click here to show and hide
9	0.56187	0.75673	0.47669
10	0.47180	0.57660	0.35664
11	0.77147	0.90993	0.18997
12	0.52820	0.42340	0.64336

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

Atom	x	y	z
1	0.57660	0.47180	0.14336
2	0.43813	0.19487	0.02331
3	0.42340	0.52820	0.85664
4	0.22853	0.13847	0.31003
(1/3,2/3,2/3) + set click here to show and hide
5	0.90993	0.13847	0.81003
6	0.77147	0.86153	0.68997
7	0.75673	0.19487	0.52331
8	0.56187	0.80513	0.97669
(2/3,1/3,1/3) + set click here to show and hide
9	0.24327	0.80513	0.47669
10	0.10480	0.52820	0.35664
11	0.09007	0.86153	0.18997
12	0.89520	0.47180	0.64336

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

Atom	x	y	z
1	0.45240	0.00000	0.25000
2	0.54760	0.00000	0.75000
(1/3,2/3,2/3) + set click here to show and hide
3	0.78573	0.66667	0.91667
4	0.88093	0.66667	0.41667
(2/3,1/3,1/3) + set click here to show and hide
5	0.11907	0.33333	0.58333
6	0.21427	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	0.45240	0.25000
2	0.88093	0.21427	0.91667
3	0.00000	0.54760	0.75000
4	0.78573	0.11907	0.41667
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.11907	0.91667
6	0.21427	0.88093	0.58333
7	0.33333	0.21427	0.41667
8	0.11907	0.78573	0.08333
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.78573	0.58333
10	0.54760	0.54760	0.25000
11	0.66667	0.88093	0.08333
12	0.45240	0.45240	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\|
Mo	Mo	0.00000	0.00000	0.15931	12	m_x,m_y,m_z	1.52075	3.0415	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 (#0.804)

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

MoP3SiO11 (#0.804)

MoP₃SiO₁₁ (#0.804)