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,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
5	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
6	-x,-x+y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	y,-x+y,-z,-1	{ -3'⁺₀₀₁ \| 0 }
9	x-y,x,-z,-1	{ -3'^-₀₀₁ \| 0 }
10	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
11	-y,-x,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
12	x,x-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
(1/3,2/3,2/3) + set click here to show and hide
13	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
14	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
15	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
16	x-y+1/3,-y+2/3,-z+1/6,+1	{ 2₁₀₀ \| 1/3 2/3 1/6 }
17	y+1/3,x+2/3,-z+1/6,+1	{ 2₁₁₀ \| 1/3 2/3 1/6 }
18	-x+1/3,-x+y+2/3,-z+1/6,+1	{ 2₀₁₀ \| 1/3 2/3 1/6 }
19	-x+1/3,-y+2/3,-z+2/3,-1	{ -1' \| 1/3 2/3 2/3 }
20	y+1/3,-x+y+2/3,-z+2/3,-1	{ -3'⁺₀₀₁ \| 1/3 2/3 2/3 }
21	x-y+1/3,x+2/3,-z+2/3,-1	{ -3'^-₀₀₁ \| 1/3 2/3 2/3 }
22	-x+y+1/3,y+2/3,z+1/6,-1	{ m'₁₀₀ \| 1/3 2/3 1/6 }
23	-y+1/3,-x+2/3,z+1/6,-1	{ m'₁₁₀ \| 1/3 2/3 1/6 }
24	x+1/3,x-y+2/3,z+1/6,-1	{ m'₀₁₀ \| 1/3 2/3 1/6 }
(2/3,1/3,1/3) + set click here to show and hide
25	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
26	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
27	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
28	x-y+2/3,-y+1/3,-z+5/6,+1	{ 2₁₀₀ \| 2/3 1/3 5/6 }
29	y+2/3,x+1/3,-z+5/6,+1	{ 2₁₁₀ \| 2/3 1/3 5/6 }
30	-x+2/3,-x+y+1/3,-z+5/6,+1	{ 2₀₁₀ \| 2/3 1/3 5/6 }
31	-x+2/3,-y+1/3,-z+1/3,-1	{ -1' \| 2/3 1/3 1/3 }
32	y+2/3,-x+y+1/3,-z+1/3,-1	{ -3'⁺₀₀₁ \| 2/3 1/3 1/3 }
33	x-y+2/3,x+1/3,-z+1/3,-1	{ -3'^-₀₀₁ \| 2/3 1/3 1/3 }
34	-x+y+2/3,y+1/3,z+5/6,-1	{ m'₁₀₀ \| 2/3 1/3 5/6 }
35	-y+2/3,-x+1/3,z+5/6,-1	{ m'₁₁₀ \| 2/3 1/3 5/6 }
36	x+2/3,x-y+1/3,z+5/6,-1	{ m'₀₁₀ \| 2/3 1/3 5/6 }

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x-y,-y,-z,+1	2₁₀₀
5	y,x,-z,+1	2₁₁₀
6	-x,-x+y,-z,+1	2₀₁₀
7	-x,-y,-z,-1	-1'
8	y,-x+y,-z,-1	-3'⁺₀₀₁
9	x-y,x,-z,-1	-3'^-₀₀₁
10	-x+y,y,z,-1	m'₁₀₀
11	-y,-x,z,-1	m'₁₁₀
12	x,x-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.00000	0.15830	12	0,0,m_z	0.0	0.0	0.35(1)	0.35

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.37200	0.03810	0.11960	36
Si1	Si	0.00000	0.00000	0.03970	12
O1	O	0.04840	0.20420	0.05330	36
O2	O	0.22730	0.08770	0.12730	36
O3	O	0.13770	0.23160	0.18910	36
O4	O	0.79200	0.00000	0.25000	18
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 Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.15830	0,0,m_z	0.00000	0.00000	0.35000
2	0.00000	0.00000	0.34170	0,0,-m_z	0.00000	0.00000	-0.35000
3	0.00000	0.00000	0.84170	0,0,-m_z	0.00000	0.00000	-0.35000
4	0.00000	0.00000	0.65830	0,0,m_z	0.00000	0.00000	0.35000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.82497	0,0,m_z	0.00000	0.00000	0.35000
6	0.33333	0.66667	0.00837	0,0,-m_z	0.00000	0.00000	-0.35000
7	0.33333	0.66667	0.50837	0,0,-m_z	0.00000	0.00000	-0.35000
8	0.33333	0.66667	0.32497	0,0,m_z	0.00000	0.00000	0.35000
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.49163	0,0,m_z	0.00000	0.00000	0.35000
10	0.66667	0.33333	0.67503	0,0,-m_z	0.00000	0.00000	-0.35000
11	0.66667	0.33333	0.17503	0,0,-m_z	0.00000	0.00000	-0.35000
12	0.66667	0.33333	0.99163	0,0,m_z	0.00000	0.00000	0.35000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.37200	0.03810	0.11960
2	0.96190	0.33390	0.11960
3	0.66610	0.62800	0.11960
4	0.33390	0.96190	0.38040
5	0.03810	0.37200	0.38040
6	0.62800	0.66610	0.38040
7	0.62800	0.96190	0.88040
8	0.03810	0.66610	0.88040
9	0.33390	0.37200	0.88040
10	0.66610	0.03810	0.61960
11	0.96190	0.62800	0.61960
12	0.37200	0.33390	0.61960
(1/3,2/3,2/3) + set click here to show and hide
13	0.70533	0.70477	0.78627
14	0.29523	0.00057	0.78627
15	0.99943	0.29467	0.78627
16	0.66723	0.62857	0.04707
17	0.37143	0.03867	0.04707
18	0.96133	0.33277	0.04707
19	0.96133	0.62857	0.54707
20	0.37143	0.33277	0.54707
21	0.66723	0.03867	0.54707
22	0.99943	0.70477	0.28627
23	0.29523	0.29467	0.28627
24	0.70533	0.00057	0.28627
(2/3,1/3,1/3) + set click here to show and hide
25	0.03867	0.37143	0.45293
26	0.62857	0.66723	0.45293
27	0.33277	0.96133	0.45293
28	0.00057	0.29523	0.71373
29	0.70477	0.70533	0.71373
30	0.29467	0.99943	0.71373
31	0.29467	0.29523	0.21373
32	0.70477	0.99943	0.21373
33	0.00057	0.70533	0.21373
34	0.33277	0.37143	0.95293
35	0.62857	0.96133	0.95293
36	0.03867	0.66723	0.95293

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

Atom	x	y	z
1	0.00000	0.00000	0.03970
2	0.00000	0.00000	0.46030
3	0.00000	0.00000	0.96030
4	0.00000	0.00000	0.53970
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.70637
6	0.33333	0.66667	0.12697
7	0.33333	0.66667	0.62697
8	0.33333	0.66667	0.20637
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.37303
10	0.66667	0.33333	0.79363
11	0.66667	0.33333	0.29363
12	0.66667	0.33333	0.87303

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

Atom	x	y	z
1	0.04840	0.20420	0.05330
2	0.79580	0.84420	0.05330
3	0.15580	0.95160	0.05330
4	0.84420	0.79580	0.44670
5	0.20420	0.04840	0.44670
6	0.95160	0.15580	0.44670
7	0.95160	0.79580	0.94670
8	0.20420	0.15580	0.94670
9	0.84420	0.04840	0.94670
10	0.15580	0.20420	0.55330
11	0.79580	0.95160	0.55330
12	0.04840	0.84420	0.55330
(1/3,2/3,2/3) + set click here to show and hide
13	0.38173	0.87087	0.71997
14	0.12913	0.51087	0.71997
15	0.48913	0.61827	0.71997
16	0.17753	0.46247	0.11337
17	0.53753	0.71507	0.11337
18	0.28493	0.82247	0.11337
19	0.28493	0.46247	0.61337
20	0.53753	0.82247	0.61337
21	0.17753	0.71507	0.61337
22	0.48913	0.87087	0.21997
23	0.12913	0.61827	0.21997
24	0.38173	0.51087	0.21997
(2/3,1/3,1/3) + set click here to show and hide
25	0.71507	0.53753	0.38663
26	0.46247	0.17753	0.38663
27	0.82247	0.28493	0.38663
28	0.51087	0.12913	0.78003
29	0.87087	0.38173	0.78003
30	0.61827	0.48913	0.78003
31	0.61827	0.12913	0.28003
32	0.87087	0.48913	0.28003
33	0.51087	0.38173	0.28003
34	0.82247	0.53753	0.88663
35	0.46247	0.28493	0.88663
36	0.71507	0.17753	0.88663

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

Atom	x	y	z
1	0.22730	0.08770	0.12730
2	0.91230	0.13960	0.12730
3	0.86040	0.77270	0.12730
4	0.13960	0.91230	0.37270
5	0.08770	0.22730	0.37270
6	0.77270	0.86040	0.37270
7	0.77270	0.91230	0.87270
8	0.08770	0.86040	0.87270
9	0.13960	0.22730	0.87270
10	0.86040	0.08770	0.62730
11	0.91230	0.77270	0.62730
12	0.22730	0.13960	0.62730
(1/3,2/3,2/3) + set click here to show and hide
13	0.56063	0.75437	0.79397
14	0.24563	0.80627	0.79397
15	0.19373	0.43937	0.79397
16	0.47293	0.57897	0.03937
17	0.42103	0.89397	0.03937
18	0.10603	0.52707	0.03937
19	0.10603	0.57897	0.53937
20	0.42103	0.52707	0.53937
21	0.47293	0.89397	0.53937
22	0.19373	0.75437	0.29397
23	0.24563	0.43937	0.29397
24	0.56063	0.80627	0.29397
(2/3,1/3,1/3) + set click here to show and hide
25	0.89397	0.42103	0.46063
26	0.57897	0.47293	0.46063
27	0.52707	0.10603	0.46063
28	0.80627	0.24563	0.70603
29	0.75437	0.56063	0.70603
30	0.43937	0.19373	0.70603
31	0.43937	0.24563	0.20603
32	0.75437	0.19373	0.20603
33	0.80627	0.56063	0.20603
34	0.52707	0.42103	0.96063
35	0.57897	0.10603	0.96063
36	0.89397	0.47293	0.96063

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

Atom	x	y	z
1	0.13770	0.23160	0.18910
2	0.76840	0.90610	0.18910
3	0.09390	0.86230	0.18910
4	0.90610	0.76840	0.31090
5	0.23160	0.13770	0.31090
6	0.86230	0.09390	0.31090
7	0.86230	0.76840	0.81090
8	0.23160	0.09390	0.81090
9	0.90610	0.13770	0.81090
10	0.09390	0.23160	0.68910
11	0.76840	0.86230	0.68910
12	0.13770	0.90610	0.68910
(1/3,2/3,2/3) + set click here to show and hide
13	0.47103	0.89827	0.85577
14	0.10173	0.57277	0.85577
15	0.42723	0.52897	0.85577
16	0.23943	0.43507	0.97757
17	0.56493	0.80437	0.97757
18	0.19563	0.76057	0.97757
19	0.19563	0.43507	0.47757
20	0.56493	0.76057	0.47757
21	0.23943	0.80437	0.47757
22	0.42723	0.89827	0.35577
23	0.10173	0.52897	0.35577
24	0.47103	0.57277	0.35577
(2/3,1/3,1/3) + set click here to show and hide
25	0.80437	0.56493	0.52243
26	0.43507	0.23943	0.52243
27	0.76057	0.19563	0.52243
28	0.57277	0.10173	0.64423
29	0.89827	0.47103	0.64423
30	0.52897	0.42723	0.64423
31	0.52897	0.10173	0.14423
32	0.89827	0.42723	0.14423
33	0.57277	0.47103	0.14423
34	0.76057	0.56493	0.02243
35	0.43507	0.19563	0.02243
36	0.80437	0.23943	0.02243

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

Atom	x	y	z
1	0.79200	0.00000	0.25000
2	0.00000	0.79200	0.25000
3	0.20800	0.20800	0.25000
4	0.20800	0.00000	0.75000
5	0.00000	0.20800	0.75000
6	0.79200	0.79200	0.75000
(1/3,2/3,2/3) + set click here to show and hide
7	0.12533	0.66667	0.91667
8	0.33333	0.45867	0.91667
9	0.54133	0.87467	0.91667
10	0.54133	0.66667	0.41667
11	0.33333	0.87467	0.41667
12	0.12533	0.45867	0.41667
(2/3,1/3,1/3) + set click here to show and hide
13	0.45867	0.33333	0.58333
14	0.66667	0.12533	0.58333
15	0.87467	0.54133	0.58333
16	0.87467	0.33333	0.08333
17	0.66667	0.54133	0.08333
18	0.45867	0.12533	0.08333

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.00000	0.15830	12	0,0,m_z	0.0	0.0	0.35(1)	0.35

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

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

RuP₃SiO₁₁ (#0.1064)

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

RuP3SiO11 (#0.1064)

RuP₃SiO₁₁ (#0.1064)