MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
0	a_p
0	b_p
0	c_p

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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	{ m₁₀₀ \| 0 0 1/2 }
11	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
12	x,x-y,z+1/2,+1	{ m₀₁₀ \| 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	{ m₁₀₀ \| 1/3 2/3 1/6 }
23	-y+1/3,-x+2/3,z+1/6,+1	{ m₁₁₀ \| 1/3 2/3 1/6 }
24	x+1/3,x-y+2/3,z+1/6,+1	{ m₀₁₀ \| 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	{ m₁₀₀ \| 2/3 1/3 5/6 }
35	-y+2/3,-x+1/3,z+5/6,+1	{ m₁₁₀ \| 2/3 1/3 5/6 }
36	x+2/3,x-y+1/3,z+5/6,+1	{ m₀₁₀ \| 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	m₁₀₀
11	-y,-x,z,+1	m₁₁₀
12	x,x-y,z,+1	m₀₁₀

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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	0.00000	6	0,0,m_z	0.0	0.0	1.	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
C1	C	0.00000	0.00000	0.25000	6
O1	O	0.27427	0.00000	0.25000	18

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.00000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.00000
4	0.33333	0.66667	0.16667	0,0,-m_z	0.00000	0.00000	-1.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.00000
6	0.66667	0.33333	0.83333	0,0,-m_z	0.00000	0.00000	-1.00000

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

Atom	x	y	z
1	0.27427	0.00000	0.25000
2	0.00000	0.27427	0.25000
3	0.72573	0.72573	0.25000
4	0.72573	0.00000	0.75000
5	0.00000	0.72573	0.75000
6	0.27427	0.27427	0.75000
(1/3,2/3,2/3) + set click here to show and hide
7	0.60760	0.66667	0.91667
8	0.33333	0.94094	0.91667
9	0.05906	0.39240	0.91667
10	0.05906	0.66667	0.41667
11	0.33333	0.39240	0.41667
12	0.60760	0.94094	0.41667
(2/3,1/3,1/3) + set click here to show and hide
13	0.94094	0.33333	0.58333
14	0.66667	0.60760	0.58333
15	0.39240	0.05906	0.58333
16	0.39240	0.33333	0.08333
17	0.66667	0.05906	0.08333
18	0.94094	0.60760	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\|
Fe1	Fe	0.00000	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.	1.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.00000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.00000
4	0.33333	0.66667	0.16667	0,0,-m_z	0.00000	0.00000	-1.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.00000
6	0.66667	0.33333	0.83333	0,0,-m_z	0.00000	0.00000	-1.00000

[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

FeCO₃ (#0.116)

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

FeCO3 (#0.116)

FeCO₃ (#0.116)