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	{ 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 }
(1/3,2/3,1/3) + set click here to show and hide
13	x+1/3,y+2/3,z+1/3,+1	{ 1 \| 1/3 2/3 1/3 }
14	-y+1/3,x-y+2/3,z+1/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 1/3 }
15	-x+y+1/3,-x+2/3,z+1/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 1/3 }
16	x-y+1/3,-y+2/3,-z+5/6,+1	{ 2₁₀₀ \| 1/3 2/3 5/6 }
17	y+1/3,x+2/3,-z+5/6,+1	{ 2₁₁₀ \| 1/3 2/3 5/6 }
18	-x+1/3,-x+y+2/3,-z+5/6,+1	{ 2₀₁₀ \| 1/3 2/3 5/6 }
19	-x+1/3,-y+2/3,-z+1/3,+1	{ -1 \| 1/3 2/3 1/3 }
20	y+1/3,-x+y+2/3,-z+1/3,+1	{ -3⁺₀₀₁ \| 1/3 2/3 1/3 }
21	x-y+1/3,x+2/3,-z+1/3,+1	{ -3^-₀₀₁ \| 1/3 2/3 1/3 }
22	-x+y+1/3,y+2/3,z+5/6,+1	{ m₁₀₀ \| 1/3 2/3 5/6 }
23	-y+1/3,-x+2/3,z+5/6,+1	{ m₁₁₀ \| 1/3 2/3 5/6 }
24	x+1/3,x-y+2/3,z+5/6,+1	{ m₀₁₀ \| 1/3 2/3 5/6 }
(2/3,1/3,2/3) + set click here to show and hide
25	x+2/3,y+1/3,z+2/3,+1	{ 1 \| 2/3 1/3 2/3 }
26	-y+2/3,x-y+1/3,z+2/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 2/3 }
27	-x+y+2/3,-x+1/3,z+2/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 2/3 }
28	x-y+2/3,-y+1/3,-z+1/6,+1	{ 2₁₀₀ \| 2/3 1/3 1/6 }
29	y+2/3,x+1/3,-z+1/6,+1	{ 2₁₁₀ \| 2/3 1/3 1/6 }
30	-x+2/3,-x+y+1/3,-z+1/6,+1	{ 2₀₁₀ \| 2/3 1/3 1/6 }
31	-x+2/3,-y+1/3,-z+2/3,+1	{ -1 \| 2/3 1/3 2/3 }
32	y+2/3,-x+y+1/3,-z+2/3,+1	{ -3⁺₀₀₁ \| 2/3 1/3 2/3 }
33	x-y+2/3,x+1/3,-z+2/3,+1	{ -3^-₀₀₁ \| 2/3 1/3 2/3 }
34	-x+y+2/3,y+1/3,z+1/6,+1	{ m₁₀₀ \| 2/3 1/3 1/6 }
35	-y+2/3,-x+1/3,z+1/6,+1	{ m₁₁₀ \| 2/3 1/3 1/6 }
36	x+2/3,x-y+1/3,z+1/6,+1	{ m₀₁₀ \| 2/3 1/3 1/6 }
(0,0,1/2)' + set click here to show and hide
37	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
38	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
39	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
40	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
41	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
42	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
43	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
44	y,-x+y,-z+1/2,-1	{ -3'⁺₀₀₁ \| 0 0 1/2 }
45	x-y,x,-z+1/2,-1	{ -3'^-₀₀₁ \| 0 0 1/2 }
46	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
47	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
48	x,x-y,z,-1	{ m'₀₁₀ \| 0 }
(1/3,2/3,5/6)' + set click here to show and hide
49	x+1/3,y+2/3,z+5/6,-1	{ 1' \| 1/3 2/3 5/6 }
50	-y+1/3,x-y+2/3,z+5/6,-1	{ 3'⁺₀₀₁ \| 1/3 2/3 5/6 }
51	-x+y+1/3,-x+2/3,z+5/6,-1	{ 3'^-₀₀₁ \| 1/3 2/3 5/6 }
52	x-y+1/3,-y+2/3,-z+1/3,-1	{ 2'₁₀₀ \| 1/3 2/3 1/3 }
53	y+1/3,x+2/3,-z+1/3,-1	{ 2'₁₁₀ \| 1/3 2/3 1/3 }
54	-x+1/3,-x+y+2/3,-z+1/3,-1	{ 2'₀₁₀ \| 1/3 2/3 1/3 }
55	-x+1/3,-y+2/3,-z+5/6,-1	{ -1' \| 1/3 2/3 5/6 }
56	y+1/3,-x+y+2/3,-z+5/6,-1	{ -3'⁺₀₀₁ \| 1/3 2/3 5/6 }
57	x-y+1/3,x+2/3,-z+5/6,-1	{ -3'^-₀₀₁ \| 1/3 2/3 5/6 }
58	-x+y+1/3,y+2/3,z+1/3,-1	{ m'₁₀₀ \| 1/3 2/3 1/3 }
59	-y+1/3,-x+2/3,z+1/3,-1	{ m'₁₁₀ \| 1/3 2/3 1/3 }
60	x+1/3,x-y+2/3,z+1/3,-1	{ m'₀₁₀ \| 1/3 2/3 1/3 }
(2/3,1/3,1/6)' + set click here to show and hide
61	x+2/3,y+1/3,z+1/6,-1	{ 1' \| 2/3 1/3 1/6 }
62	-y+2/3,x-y+1/3,z+1/6,-1	{ 3'⁺₀₀₁ \| 2/3 1/3 1/6 }
63	-x+y+2/3,-x+1/3,z+1/6,-1	{ 3'^-₀₀₁ \| 2/3 1/3 1/6 }
64	x-y+2/3,-y+1/3,-z+2/3,-1	{ 2'₁₀₀ \| 2/3 1/3 2/3 }
65	y+2/3,x+1/3,-z+2/3,-1	{ 2'₁₁₀ \| 2/3 1/3 2/3 }
66	-x+2/3,-x+y+1/3,-z+2/3,-1	{ 2'₀₁₀ \| 2/3 1/3 2/3 }
67	-x+2/3,-y+1/3,-z+1/6,-1	{ -1' \| 2/3 1/3 1/6 }
68	y+2/3,-x+y+1/3,-z+1/6,-1	{ -3'⁺₀₀₁ \| 2/3 1/3 1/6 }
69	x-y+2/3,x+1/3,-z+1/6,-1	{ -3'^-₀₀₁ \| 2/3 1/3 1/6 }
70	-x+y+2/3,y+1/3,z+2/3,-1	{ m'₁₀₀ \| 2/3 1/3 2/3 }
71	-y+2/3,-x+1/3,z+2/3,-1	{ m'₁₁₀ \| 2/3 1/3 2/3 }
72	x+2/3,x-y+1/3,z+2/3,-1	{ m'₀₁₀ \| 2/3 1/3 2/3 }

[Hide]

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
1' + set click here to show and hide
13	x,y,z,-1	1'
14	-y,x-y,z,-1	3'⁺₀₀₁
15	-x+y,-x,z,-1	3'^-₀₀₁
16	x-y,-y,-z,-1	2'₁₀₀
17	y,x,-z,-1	2'₁₁₀
18	-x,-x+y,-z,-1	2'₀₁₀
19	-x,-y,-z,-1	-1'
20	y,-x+y,-z,-1	-3'⁺₀₀₁
21	x-y,x,-z,-1	-3'^-₀₀₁
22	-x+y,y,z,-1	m'₁₀₀
23	-y,-x,z,-1	m'₁₁₀
24	x,x-y,z,-1	m'₀₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.66	6	0,0,m_z	0.0	0.0	3.8(4)	3.80

Non-magnetic atoms:

Label	Atom type	z	Occupancy	Multiplicity
Bi1	Bi	0.00000	0.34	6
Bi2	Bi	0.11828	1.	12
Bi3	Bi	0.14816	1.	12
Bi4	Bi	0.23510	1.	12
Te1	Te	0.02694	1.	12
Te2	Te	0.05833	1.	12
Te3	Te	0.08977	1.	12
Te4	Te	0.17469	1.	12
Te5	Te	0.20652	1.	12

[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 Mn1:

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	3.80000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	0,0,m_z	0.00000	0.00000	3.80000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	0,0,m_z	0.00000	0.00000	3.80000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-3.80000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83333	0,0,-m_z	0.00000	0.00000	-3.80000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.16667	0,0,-m_z	0.00000	0.00000	-3.80000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.16667

Set of atoms in the unit cell related by symmetry with the atom Bi2:

Atom	x	y	z
1	0.00000	0.00000	0.11828
2	0.00000	0.00000	0.38172
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.45161
4	0.33333	0.66667	0.71505
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.78495
6	0.66667	0.33333	0.04839
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.61828
8	0.00000	0.00000	0.88172
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.95161
10	0.33333	0.66667	0.21505
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.28495
12	0.66667	0.33333	0.54839

Set of atoms in the unit cell related by symmetry with the atom Bi3:

Atom	x	y	z
1	0.00000	0.00000	0.14816
2	0.00000	0.00000	0.35184
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.48149
4	0.33333	0.66667	0.68517
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.81483
6	0.66667	0.33333	0.01851
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.64816
8	0.00000	0.00000	0.85184
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.98149
10	0.33333	0.66667	0.18517
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.31483
12	0.66667	0.33333	0.51851

Set of atoms in the unit cell related by symmetry with the atom Bi4:

Atom	x	y	z
1	0.00000	0.00000	0.23510
2	0.00000	0.00000	0.26490
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.56843
4	0.33333	0.66667	0.59823
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.90177
6	0.66667	0.33333	0.93157
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.73510
8	0.00000	0.00000	0.76490
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.06843
10	0.33333	0.66667	0.09823
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.40177
12	0.66667	0.33333	0.43157

Set of atoms in the unit cell related by symmetry with the atom Te1:

Atom	x	y	z
1	0.00000	0.00000	0.02694
2	0.00000	0.00000	0.47306
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.36027
4	0.33333	0.66667	0.80639
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.69361
6	0.66667	0.33333	0.13973
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.52694
8	0.00000	0.00000	0.97306
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.86027
10	0.33333	0.66667	0.30639
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.19361
12	0.66667	0.33333	0.63973

Set of atoms in the unit cell related by symmetry with the atom Te2:

Atom	x	y	z
1	0.00000	0.00000	0.05833
2	0.00000	0.00000	0.44167
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.39166
4	0.33333	0.66667	0.77500
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.72500
6	0.66667	0.33333	0.10834
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.55833
8	0.00000	0.00000	0.94167
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.89166
10	0.33333	0.66667	0.27500
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.22500
12	0.66667	0.33333	0.60834

Set of atoms in the unit cell related by symmetry with the atom Te3:

Atom	x	y	z
1	0.00000	0.00000	0.08977
2	0.00000	0.00000	0.41023
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.42310
4	0.33333	0.66667	0.74356
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.75644
6	0.66667	0.33333	0.07690
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.58977
8	0.00000	0.00000	0.91023
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.92310
10	0.33333	0.66667	0.24356
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.25644
12	0.66667	0.33333	0.57690

Set of atoms in the unit cell related by symmetry with the atom Te4:

Atom	x	y	z
1	0.00000	0.00000	0.17469
2	0.00000	0.00000	0.32531
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.50802
4	0.33333	0.66667	0.65864
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.84136
6	0.66667	0.33333	0.99198
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.67469
8	0.00000	0.00000	0.82531
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.00802
10	0.33333	0.66667	0.15864
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.34136
12	0.66667	0.33333	0.49198

Set of atoms in the unit cell related by symmetry with the atom Te5:

Atom	x	y	z
1	0.00000	0.00000	0.20652
2	0.00000	0.00000	0.29348
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.53985
4	0.33333	0.66667	0.62681
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.87319
6	0.66667	0.33333	0.96015
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.70652
8	0.00000	0.00000	0.79348
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.03985
10	0.33333	0.66667	0.12681
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.37319
12	0.66667	0.33333	0.46015

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.66	6	0,0,m_z	0.0	0.0	3.8(4)	3.80

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

label	dim. small irrep	dim. full irrep	action	number of modes
mT2+	1	1	primary	1

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

MnBi₆Te₁₀ (#1.529)

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

MnBi6Te10 (#1.529)

MnBi₆Te₁₀ (#1.529)