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,z,y,+1	{ 2₀₁₁ \| 0 }
3	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
4	-x+1/2,-z,-y,+1	{ 2_01-1 \| 1/2 0 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x,-z,-y,+1	{ m₀₁₁ \| 0 }
7	-x+1/2,y,z,+1	{ m₁₀₀ \| 1/2 0 0 }
8	x+1/2,z,y,+1	{ m_01-1 \| 1/2 0 0 }
(0,1/2,1/2) + set click here to show and hide
9	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
10	-x,z+1/2,y+1/2,+1	{ 2₀₁₁ \| 0 1/2 1/2 }
11	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
12	-x+1/2,-z+1/2,-y+1/2,+1	{ 2_01-1 \| 1/2 1/2 1/2 }
13	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
14	x,-z+1/2,-y+1/2,+1	{ m₀₁₁ \| 0 1/2 1/2 }
15	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
16	x+1/2,z+1/2,y+1/2,+1	{ m_01-1 \| 1/2 1/2 1/2 }
(1/2,0,1/2) + set click here to show and hide
17	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
18	-x+1/2,z,y+1/2,+1	{ 2₀₁₁ \| 1/2 0 1/2 }
19	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
20	-x,-z,-y+1/2,+1	{ 2_01-1 \| 0 0 1/2 }
21	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
22	x+1/2,-z,-y+1/2,+1	{ m₀₁₁ \| 1/2 0 1/2 }
23	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
24	x,z,y+1/2,+1	{ m_01-1 \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
25	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
26	-x+1/2,z+1/2,y,+1	{ 2₀₁₁ \| 1/2 1/2 0 }
27	x,-y+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
28	-x,-z+1/2,-y,+1	{ 2_01-1 \| 0 1/2 0 }
29	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
30	x+1/2,-z+1/2,-y,+1	{ m₀₁₁ \| 1/2 1/2 0 }
31	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
32	x,z+1/2,y,+1	{ m_01-1 \| 0 1/2 0 }
(0,0,1/2)' + set click here to show and hide
33	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
34	-x,z,y+1/2,-1	{ 2'₀₁₁ \| 0 0 1/2 }
35	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
36	-x+1/2,-z,-y+1/2,-1	{ 2'_01-1 \| 1/2 0 1/2 }
37	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
38	x,-z,-y+1/2,-1	{ m'₀₁₁ \| 0 0 1/2 }
39	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
40	x+1/2,z,y+1/2,-1	{ m'_01-1 \| 1/2 0 1/2 }
(0,1/2,0)' + set click here to show and hide
41	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
42	-x,z+1/2,y,-1	{ 2'₀₁₁ \| 0 1/2 0 }
43	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
44	-x+1/2,-z+1/2,-y,-1	{ 2'_01-1 \| 1/2 1/2 0 }
45	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
46	x,-z+1/2,-y,-1	{ m'₀₁₁ \| 0 1/2 0 }
47	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
48	x+1/2,z+1/2,y,-1	{ m'_01-1 \| 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,z,y,-1	{ 2'₀₁₁ \| 1/2 0 0 }
51	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
52	-x,-z,-y,-1	{ 2'_01-1 \| 0 }
53	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
54	x+1/2,-z,-y,-1	{ m'₀₁₁ \| 1/2 0 0 }
55	-x,y,z,-1	{ m'₁₀₀ \| 0 }
56	x,z,y,-1	{ m'_01-1 \| 0 }
(1/2,1/2,1/2)' + set click here to show and hide
57	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
58	-x+1/2,z+1/2,y+1/2,-1	{ 2'₀₁₁ \| 1/2 1/2 1/2 }
59	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
60	-x,-z+1/2,-y+1/2,-1	{ 2'_01-1 \| 0 1/2 1/2 }
61	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
62	x+1/2,-z+1/2,-y+1/2,-1	{ m'₀₁₁ \| 1/2 1/2 1/2 }
63	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
64	x,z+1/2,y+1/2,-1	{ m'_01-1 \| 0 1/2 1/2 }

[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,z,y,+1	2₀₁₁
3	x,-y,-z,+1	2₁₀₀
4	-x,-z,-y,+1	2_01-1
5	-x,-y,-z,+1	-1
6	x,-z,-y,+1	m₀₁₁
7	-x,y,z,+1	m₁₀₀
8	x,z,y,+1	m_01-1
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,z,y,-1	2'₀₁₁
11	x,-y,-z,-1	2'₁₀₀
12	-x,-z,-y,-1	2'_01-1
13	-x,-y,-z,-1	-1'
14	x,-z,-y,-1	m'₀₁₁
15	-x,y,z,-1	m'₁₀₀
16	x,z,y,-1	m'_01-1

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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\|
Fe1	Fe	0.00000	0.00000	0.00000	1.	8	0,m_y,m_y	0.0	0.6165(5)	0.6165(5)	0.87

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ba1	Ba	0.25000	0.25000	0.25000	0.67	8
La1	La	0.25000	0.25000	0.25000	0.33	8
O1_1	O	0.25000	0.00000	0.00000	1.	8
O1_2	O	0.00000	0.25000	0.00000	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_y	0.00000	0.61650	0.61650
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	0,m_y,m_y	0.00000	0.61650	0.61650
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	0,m_y,m_y	0.00000	0.61650	0.61650
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000	0,m_y,m_y	0.00000	0.61650	0.61650
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	0,-m_y,-m_y	0.00000	-0.61650	-0.61650
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000	0,-m_y,-m_y	0.00000	-0.61650	-0.61650
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	0,-m_y,-m_y	0.00000	-0.61650	-0.61650
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.50000	0.50000	0,-m_y,-m_y	0.00000	-0.61650	-0.61650

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.25000	0.25000	0.25000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.75000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.75000
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.75000	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.75000

Set of atoms in the unit cell related by symmetry with the atom La1:

Atom	x	y	z
1	0.25000	0.25000	0.25000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.75000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.75000
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.75000	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.25000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.50000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.50000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.50000
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.50000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_2:

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

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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	0.00000	8	0,m_y,m_y	0.0	0.6165(5)	0.6165(5)	0.87

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mR4+	3	3	special	primary	1

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

Ba_0.67La_0.33FeO₃ (#1.684)

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

Ba0.67La0.33FeO3 (#1.684)

Ba_0.67La_0.33FeO₃ (#1.684)