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	-x,-x+y,-z,+1	2₀₁₀
3	-x+y,-x,z,+1	3^-₀₀₁
4	-y,x-y,z,+1	3⁺₀₀₁
5	y,x,-z,+1	2₁₁₀
6	x-y,-y,-z,+1	2₁₀₀
7	-x,-y,-z,-1	-1'
8	-x+y,y,z,-1	m'₁₀₀
9	-y,-x,z,-1	m'₁₁₀
10	y,-x+y,-z,-1	-3'⁺₀₀₁
11	x-y,x,-z,-1	-3'^-₀₀₁
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\|
Cr1	Cr3+	0.00000	0.00000	0.3476	12	0,0,m_z	0.0	0.0	2.48(3)	2.48

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.3056	0.00000	0.25000	18

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.34760	0,0,m_z	0.00000	0.00000	2.48000
2	0.00000	0.00000	0.15240	0,0,-m_z	0.00000	0.00000	-2.48000
3	0.00000	0.00000	0.65240	0,0,-m_z	0.00000	0.00000	-2.48000
4	0.00000	0.00000	0.84760	0,0,m_z	0.00000	0.00000	2.48000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.01427	0,0,m_z	0.00000	0.00000	2.48000
6	0.33333	0.66667	0.81907	0,0,-m_z	0.00000	0.00000	-2.48000
7	0.33333	0.66667	0.31907	0,0,-m_z	0.00000	0.00000	-2.48000
8	0.33333	0.66667	0.51427	0,0,m_z	0.00000	0.00000	2.48000
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.68093	0,0,m_z	0.00000	0.00000	2.48000
10	0.66667	0.33333	0.48573	0,0,-m_z	0.00000	0.00000	-2.48000
11	0.66667	0.33333	0.98573	0,0,-m_z	0.00000	0.00000	-2.48000
12	0.66667	0.33333	0.18093	0,0,m_z	0.00000	0.00000	2.48000

Atom	x	y	z
1	0.30560	0.00000	0.25000
2	0.00000	0.30560	0.25000
3	0.69440	0.69440	0.25000
4	0.69440	0.00000	0.75000
5	0.00000	0.69440	0.75000
6	0.30560	0.30560	0.75000
(1/3,2/3,2/3) + set click here to show and hide
7	0.63893	0.66667	0.91667
8	0.33333	0.97227	0.91667
9	0.02773	0.36107	0.91667
10	0.02773	0.66667	0.41667
11	0.33333	0.36107	0.41667
12	0.63893	0.97227	0.41667
(2/3,1/3,1/3) + set click here to show and hide
13	0.97227	0.33333	0.58333
14	0.66667	0.63893	0.58333
15	0.36107	0.02773	0.58333
16	0.36107	0.33333	0.08333
17	0.66667	0.02773	0.08333
18	0.97227	0.63893	0.08333

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr3+	0.00000	0.00000	0.3476	12	0,0,m_z	0.0	0.0	2.48(3)	2.48

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.34760	0,0,m_z	0.00000	0.00000	2.48000
2	0.00000	0.00000	0.15240	0,0,-m_z	0.00000	0.00000	-2.48000
3	0.00000	0.00000	0.65240	0,0,-m_z	0.00000	0.00000	-2.48000
4	0.00000	0.00000	0.84760	0,0,m_z	0.00000	0.00000	2.48000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.01427	0,0,m_z	0.00000	0.00000	2.48000
6	0.33333	0.66667	0.81907	0,0,-m_z	0.00000	0.00000	-2.48000
7	0.33333	0.66667	0.31907	0,0,-m_z	0.00000	0.00000	-2.48000
8	0.33333	0.66667	0.51427	0,0,m_z	0.00000	0.00000	2.48000
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.68093	0,0,m_z	0.00000	0.00000	2.48000
10	0.66667	0.33333	0.48573	0,0,-m_z	0.00000	0.00000	-2.48000
11	0.66667	0.33333	0.98573	0,0,-m_z	0.00000	0.00000	-2.48000
12	0.66667	0.33333	0.18093	0,0,m_z	0.00000	0.00000	2.48000

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

label	dim. small irrep	dim. full irrep	action
mGM1-	1	1	primary

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

Cr₂O₃ (#0.59)

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

Cr2O3 (#0.59)

Cr₂O₃ (#0.59)