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	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
3	-y+1/4,-x+1/4,-z+1/2,+1	{ 2_1-10 \| 1/4 1/4 1/2 }
4	y+1/4,x+1/4,-z+1/2,+1	{ 2₁₁₀ \| 1/4 1/4 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x,y,-z,+1	{ m₀₀₁ \| 0 }
7	y+1/4,x+1/4,z+1/2,+1	{ m_1-10 \| 1/4 1/4 1/2 }
8	-y+1/4,-x+1/4,z+1/2,+1	{ m₁₁₀ \| 1/4 1/4 1/2 }
(1/4,3/4,1/2) + set click here to show and hide
9	x+1/4,y+3/4,z+1/2,+1	{ 1 \| 1/4 3/4 1/2 }
10	-x+1/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 3/4 1/2 }
11	-y+1/2,-x,-z,+1	{ 2_1-10 \| 1/2 0 0 }
12	y+1/2,x,-z,+1	{ 2₁₁₀ \| 1/2 0 0 }
13	-x+1/4,-y+3/4,-z+1/2,+1	{ -1 \| 1/4 3/4 1/2 }
14	x+1/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 3/4 1/2 }
15	y+1/2,x,z,+1	{ m_1-10 \| 1/2 0 0 }
16	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
(1/2,1/2,0) + set click here to show and hide
17	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
18	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
19	-y+3/4,-x+3/4,-z+1/2,+1	{ 2_1-10 \| 3/4 3/4 1/2 }
20	y+3/4,x+3/4,-z+1/2,+1	{ 2₁₁₀ \| 3/4 3/4 1/2 }
21	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
22	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
23	y+3/4,x+3/4,z+1/2,+1	{ m_1-10 \| 3/4 3/4 1/2 }
24	-y+3/4,-x+3/4,z+1/2,+1	{ m₁₁₀ \| 3/4 3/4 1/2 }
(3/4,1/4,1/2) + set click here to show and hide
25	x+3/4,y+1/4,z+1/2,+1	{ 1 \| 3/4 1/4 1/2 }
26	-x+3/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/4 1/2 }
27	-y,-x+1/2,-z,+1	{ 2_1-10 \| 0 1/2 0 }
28	y,x+1/2,-z,+1	{ 2₁₁₀ \| 0 1/2 0 }
29	-x+3/4,-y+1/4,-z+1/2,+1	{ -1 \| 3/4 1/4 1/2 }
30	x+3/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 1/4 1/2 }
31	y,x+1/2,z,+1	{ m_1-10 \| 0 1/2 0 }
32	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
33	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
34	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
35	-y+1/4,-x+3/4,-z+1/2,-1	{ 2'_1-10 \| 1/4 3/4 1/2 }
36	y+1/4,x+3/4,-z+1/2,-1	{ 2'₁₁₀ \| 1/4 3/4 1/2 }
37	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
38	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
39	y+1/4,x+3/4,z+1/2,-1	{ m'_1-10 \| 1/4 3/4 1/2 }
40	-y+1/4,-x+3/4,z+1/2,-1	{ m'₁₁₀ \| 1/4 3/4 1/2 }
(1/4,1/4,1/2)' + set click here to show and hide
41	x+1/4,y+1/4,z+1/2,-1	{ 1' \| 1/4 1/4 1/2 }
42	-x+1/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 1/4 1/2 }
43	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
44	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
45	-x+1/4,-y+1/4,-z+1/2,-1	{ -1' \| 1/4 1/4 1/2 }
46	x+1/4,y+1/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 1/4 1/2 }
47	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
48	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
(1/2,0,0)' + set click here to show and hide
49	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
50	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
51	-y+3/4,-x+1/4,-z+1/2,-1	{ 2'_1-10 \| 3/4 1/4 1/2 }
52	y+3/4,x+1/4,-z+1/2,-1	{ 2'₁₁₀ \| 3/4 1/4 1/2 }
53	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
54	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }
55	y+3/4,x+1/4,z+1/2,-1	{ m'_1-10 \| 3/4 1/4 1/2 }
56	-y+3/4,-x+1/4,z+1/2,-1	{ m'₁₁₀ \| 3/4 1/4 1/2 }
(3/4,3/4,1/2)' + set click here to show and hide
57	x+3/4,y+3/4,z+1/2,-1	{ 1' \| 3/4 3/4 1/2 }
58	-x+3/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 3/4 1/2 }
59	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
60	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
61	-x+3/4,-y+3/4,-z+1/2,-1	{ -1' \| 3/4 3/4 1/2 }
62	x+3/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 3/4 3/4 1/2 }
63	y,x,z,-1	{ m'_1-10 \| 0 }
64	-y,-x,z,-1	{ m'₁₁₀ \| 0 }

[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	-x,-y,z,+1	2₀₀₁
3	-y,-x,-z,+1	2_1-10
4	y,x,-z,+1	2₁₁₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	y,x,z,+1	m_1-10
8	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-y,-x,-z,-1	2'_1-10
12	y,x,-z,-1	2'₁₁₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	y,x,z,-1	m'_1-10
16	-y,-x,z,-1	m'₁₁₀

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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	1.	8	0,0,m_z	0.0	0.0	3.8(2)	3.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Bi1	Bi	0.00000	0.00000	0.32370	1.	16
F1	F	0.00000	0.20450	0.53480	0.25	64
F2_1	F	0.03600	0.03600	0.12315	0.25	32
F2_2	F	0.96400	0.03600	0.12315	0.25	32
O1	O	0.00000	0.25000	0.25000	1.	16

[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
(1/4,3/4,1/2) + set click here to show and hide
2	0.25000	0.75000	0.50000	0,0,m_z	0.00000	0.00000	3.80000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	3.80000
(3/4,1/4,1/2) + set click here to show and hide
4	0.75000	0.25000	0.50000	0,0,m_z	0.00000	0.00000	3.80000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-3.80000
(1/4,1/4,1/2)' + set click here to show and hide
6	0.25000	0.25000	0.50000	0,0,-m_z	0.00000	0.00000	-3.80000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	0,0,-m_z	0.00000	0.00000	-3.80000
(3/4,3/4,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.50000	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	0.32370
2	0.25000	0.25000	0.17630
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.82370
4	0.50000	0.00000	0.67630
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.32370
6	0.75000	0.75000	0.17630
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.82370
8	0.00000	0.50000	0.67630
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.32370
10	0.25000	0.75000	0.17630
(1/4,1/4,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.82370
12	0.50000	0.50000	0.67630
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.32370
14	0.75000	0.25000	0.17630
(3/4,3/4,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.82370
16	0.00000	0.00000	0.67630

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.00000	0.20450	0.53480
2	0.00000	0.79550	0.53480
3	0.04550	0.25000	0.96520
4	0.45450	0.25000	0.96520
5	0.00000	0.79550	0.46520
6	0.00000	0.20450	0.46520
7	0.45450	0.25000	0.03480
8	0.04550	0.25000	0.03480
(1/4,3/4,1/2) + set click here to show and hide
9	0.25000	0.95450	0.03480
10	0.25000	0.54550	0.03480
11	0.29550	0.00000	0.46520
12	0.70450	0.00000	0.46520
13	0.25000	0.54550	0.96520
14	0.25000	0.95450	0.96520
15	0.70450	0.00000	0.53480
16	0.29550	0.00000	0.53480
(1/2,1/2,0) + set click here to show and hide
17	0.50000	0.70450	0.53480
18	0.50000	0.29550	0.53480
19	0.54550	0.75000	0.96520
20	0.95450	0.75000	0.96520
21	0.50000	0.29550	0.46520
22	0.50000	0.70450	0.46520
23	0.95450	0.75000	0.03480
24	0.54550	0.75000	0.03480
(3/4,1/4,1/2) + set click here to show and hide
25	0.75000	0.45450	0.03480
26	0.75000	0.04550	0.03480
27	0.79550	0.50000	0.46520
28	0.20450	0.50000	0.46520
29	0.75000	0.04550	0.96520
30	0.75000	0.45450	0.96520
31	0.20450	0.50000	0.53480
32	0.79550	0.50000	0.53480
(0,1/2,0)' + set click here to show and hide
33	0.00000	0.70450	0.53480
34	0.00000	0.29550	0.53480
35	0.04550	0.75000	0.96520
36	0.45450	0.75000	0.96520
37	0.00000	0.29550	0.46520
38	0.00000	0.70450	0.46520
39	0.45450	0.75000	0.03480
40	0.04550	0.75000	0.03480
(1/4,1/4,1/2)' + set click here to show and hide
41	0.25000	0.45450	0.03480
42	0.25000	0.04550	0.03480
43	0.29550	0.50000	0.46520
44	0.70450	0.50000	0.46520
45	0.25000	0.04550	0.96520
46	0.25000	0.45450	0.96520
47	0.70450	0.50000	0.53480
48	0.29550	0.50000	0.53480
(1/2,0,0)' + set click here to show and hide
49	0.50000	0.20450	0.53480
50	0.50000	0.79550	0.53480
51	0.54550	0.25000	0.96520
52	0.95450	0.25000	0.96520
53	0.50000	0.79550	0.46520
54	0.50000	0.20450	0.46520
55	0.95450	0.25000	0.03480
56	0.54550	0.25000	0.03480
(3/4,3/4,1/2)' + set click here to show and hide
57	0.75000	0.95450	0.03480
58	0.75000	0.54550	0.03480
59	0.79550	0.00000	0.46520
60	0.20450	0.00000	0.46520
61	0.75000	0.54550	0.96520
62	0.75000	0.95450	0.96520
63	0.20450	0.00000	0.53480
64	0.79550	0.00000	0.53480

Set of atoms in the unit cell related by symmetry with the atom F2_1:

Atom	x	y	z
1	0.03600	0.03600	0.12315
2	0.96400	0.96400	0.12315
3	0.21400	0.21400	0.37685
4	0.28600	0.28600	0.37685
(1/4,3/4,1/2) + set click here to show and hide
5	0.28600	0.78600	0.62315
6	0.21400	0.71400	0.62315
7	0.46400	0.96400	0.87685
8	0.53600	0.03600	0.87685
(1/2,1/2,0) + set click here to show and hide
9	0.53600	0.53600	0.12315
10	0.46400	0.46400	0.12315
11	0.71400	0.71400	0.37685
12	0.78600	0.78600	0.37685
(3/4,1/4,1/2) + set click here to show and hide
13	0.78600	0.28600	0.62315
14	0.71400	0.21400	0.62315
15	0.96400	0.46400	0.87685
16	0.03600	0.53600	0.87685
(0,1/2,0)' + set click here to show and hide
17	0.03600	0.53600	0.12315
18	0.96400	0.46400	0.12315
19	0.21400	0.71400	0.37685
20	0.28600	0.78600	0.37685
(1/4,1/4,1/2)' + set click here to show and hide
21	0.28600	0.28600	0.62315
22	0.21400	0.21400	0.62315
23	0.46400	0.46400	0.87685
24	0.53600	0.53600	0.87685
(1/2,0,0)' + set click here to show and hide
25	0.53600	0.03600	0.12315
26	0.46400	0.96400	0.12315
27	0.71400	0.21400	0.37685
28	0.78600	0.28600	0.37685
(3/4,3/4,1/2)' + set click here to show and hide
29	0.78600	0.78600	0.62315
30	0.71400	0.71400	0.62315
31	0.96400	0.96400	0.87685
32	0.03600	0.03600	0.87685

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Atom	x	y	z
1	0.96400	0.03600	0.12315
2	0.03600	0.96400	0.12315
3	0.21400	0.28600	0.37685
4	0.28600	0.21400	0.37685
(1/4,3/4,1/2) + set click here to show and hide
5	0.21400	0.78600	0.62315
6	0.28600	0.71400	0.62315
7	0.46400	0.03600	0.87685
8	0.53600	0.96400	0.87685
(1/2,1/2,0) + set click here to show and hide
9	0.46400	0.53600	0.12315
10	0.53600	0.46400	0.12315
11	0.71400	0.78600	0.37685
12	0.78600	0.71400	0.37685
(3/4,1/4,1/2) + set click here to show and hide
13	0.71400	0.28600	0.62315
14	0.78600	0.21400	0.62315
15	0.96400	0.53600	0.87685
16	0.03600	0.46400	0.87685
(0,1/2,0)' + set click here to show and hide
17	0.96400	0.53600	0.12315
18	0.03600	0.46400	0.12315
19	0.21400	0.78600	0.37685
20	0.28600	0.71400	0.37685
(1/4,1/4,1/2)' + set click here to show and hide
21	0.21400	0.28600	0.62315
22	0.28600	0.21400	0.62315
23	0.46400	0.53600	0.87685
24	0.53600	0.46400	0.87685
(1/2,0,0)' + set click here to show and hide
25	0.46400	0.03600	0.12315
26	0.53600	0.96400	0.12315
27	0.71400	0.28600	0.37685
28	0.78600	0.21400	0.37685
(3/4,3/4,1/2)' + set click here to show and hide
29	0.71400	0.78600	0.62315
30	0.78600	0.71400	0.62315
31	0.96400	0.03600	0.87685
32	0.03600	0.96400	0.87685

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

Atom	x	y	z
1	0.00000	0.25000	0.25000
2	0.00000	0.75000	0.75000
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.00000	0.75000
4	0.25000	0.50000	0.25000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.75000	0.25000
6	0.50000	0.25000	0.75000
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.50000	0.75000
8	0.75000	0.00000	0.25000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.75000	0.25000
10	0.00000	0.25000	0.75000
(1/4,1/4,1/2)' + set click here to show and hide
11	0.25000	0.50000	0.75000
12	0.25000	0.00000	0.25000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.25000	0.25000
14	0.50000	0.75000	0.75000
(3/4,3/4,1/2)' + set click here to show and hide
15	0.75000	0.00000	0.75000
16	0.75000	0.50000	0.25000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	8	0,0,m_z	0.0	0.0	3.8(2)	3.80

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

label	dim. small irrep	dim. full irrep	action	number of modes
mX2+	1	2	primary	1

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

Bi₂MnO₂F₄ (#1.880)

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

Bi2MnO2F4 (#1.880)

Bi₂MnO₂F₄ (#1.880)