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

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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,-z,+1	-1
5	y,-x+y,-z,+1	-3⁺₀₀₁
6	x-y,x,-z,+1	-3^-₀₀₁
1' + set click here to show and hide
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,-z,-1	-1'
11	y,-x+y,-z,-1	-3'⁺₀₀₁
12	x-y,x,-z,-1	-3'^-₀₀₁

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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	0.33320	12	0,0,m_z	0.0	0.0	4.9	4.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Br1	Br	0.35261	0.00066	0.03963	36

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.33320	0,0,m_z	0.00000	0.00000	4.90000
2	0.00000	0.00000	0.66680	0,0,m_z	0.00000	0.00000	4.90000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.66653	0,0,m_z	0.00000	0.00000	4.90000
4	0.33333	0.66667	0.00013	0,0,m_z	0.00000	0.00000	4.90000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.99987	0,0,m_z	0.00000	0.00000	4.90000
6	0.66667	0.33333	0.33347	0,0,m_z	0.00000	0.00000	4.90000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.83320	0,0,-m_z	0.00000	0.00000	-4.90000
8	0.00000	0.00000	0.16680	0,0,-m_z	0.00000	0.00000	-4.90000
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.16653	0,0,-m_z	0.00000	0.00000	-4.90000
10	0.33333	0.66667	0.50013	0,0,-m_z	0.00000	0.00000	-4.90000
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.49987	0,0,-m_z	0.00000	0.00000	-4.90000
12	0.66667	0.33333	0.83347	0,0,-m_z	0.00000	0.00000	-4.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Br1:

Atom	x	y	z
1	0.35261	0.00066	0.03963
2	0.99934	0.35195	0.03963
3	0.64805	0.64739	0.03963
4	0.64739	0.99934	0.96037
5	0.00066	0.64805	0.96037
6	0.35195	0.35261	0.96037
(1/3,2/3,1/3) + set click here to show and hide
7	0.68594	0.66733	0.37296
8	0.33267	0.01862	0.37296
9	0.98138	0.31406	0.37296
10	0.98072	0.66601	0.29370
11	0.33399	0.31472	0.29370
12	0.68528	0.01928	0.29370
(2/3,1/3,2/3) + set click here to show and hide
13	0.01928	0.33399	0.70630
14	0.66601	0.68528	0.70630
15	0.31472	0.98072	0.70630
16	0.31406	0.33267	0.62704
17	0.66733	0.98138	0.62704
18	0.01862	0.68594	0.62704
(0,0,1/2)' + set click here to show and hide
19	0.35261	0.00066	0.53963
20	0.99934	0.35195	0.53963
21	0.64805	0.64739	0.53963
22	0.64739	0.99934	0.46037
23	0.00066	0.64805	0.46037
24	0.35195	0.35261	0.46037
(1/3,2/3,5/6)' + set click here to show and hide
25	0.68594	0.66733	0.87296
26	0.33267	0.01862	0.87296
27	0.98138	0.31406	0.87296
28	0.98072	0.66601	0.79370
29	0.33399	0.31472	0.79370
30	0.68528	0.01928	0.79370
(2/3,1/3,1/6)' + set click here to show and hide
31	0.01928	0.33399	0.20630
32	0.66601	0.68528	0.20630
33	0.31472	0.98072	0.20630
34	0.31406	0.33267	0.12704
35	0.66733	0.98138	0.12704
36	0.01862	0.68594	0.12704

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.33320	12	0,0,m_z	0.0	0.0	4.9	4.90

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

label	dim. small irrep	dim. full irrep	action	number of modes
mT1+	1	1	primary	1

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

FeBr₃ (#1.782)

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

FeBr3 (#1.782)

FeBr₃ (#1.782)