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+1/2,y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
3	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
4	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
5	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
6	x,-y,z,+1	{ m₀₁₀ \| 0 }
7	-x+1/2,y,z,+1	{ m₁₀₀ \| 1/2 0 0 }
8	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
(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+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
11	x,-y+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
12	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
14	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 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,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
(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,y,-z,+1	{ 2₀₁₀ \| 0 }
19	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
20	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
21	-x,-y,-z,+1	{ -1 \| 0 }
22	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
23	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
24	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
(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,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
27	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
28	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
29	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
30	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
31	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
32	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
(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+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
35	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
36	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
37	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
38	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
39	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
40	x,y,-z,-1	{ m'₀₀₁ \| 0 }
(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+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
43	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
44	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
45	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
46	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
47	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
48	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
(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,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
51	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
52	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
53	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
54	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }
55	-x,y,z,-1	{ m'₁₀₀ \| 0 }
56	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
(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,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
59	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
60	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
61	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
62	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
63	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
64	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	x,-y,-z,+1	2₁₀₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	-x,y,z,+1	m₁₀₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	x,-y,-z,-1	2'₁₀₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	-x,y,z,-1	m'₁₀₀
16	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.25000	0.25000	0.14155	0.5	16	m_x,0,0	0.964(3)	0.0	0.0	0.96
Fe1	Fe	0.25000	0.25000	0.12820	0.5	16	m_x,0,0	2.775(4)	0.0	0.0	2.77

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Y1	Y	0.00000	0.00000	0.25000	1.	8
Ba1	Ba	0.00000	0.00000	0.00000	1.	8
O1	O	0.25000	0.25000	0.00000	1.	8
O2_1	O	0.00000	0.25000	0.18070	1.	16
O2_2	O	0.25000	0.00000	0.18070	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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.14155	m_x,0,0	0.96400	0.00000	0.00000
2	0.25000	0.25000	0.35845	-m_x,0,0	-0.96400	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.64155	m_x,0,0	0.96400	0.00000	0.00000
4	0.25000	0.75000	0.85845	-m_x,0,0	-0.96400	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.64155	m_x,0,0	0.96400	0.00000	0.00000
6	0.75000	0.25000	0.85845	-m_x,0,0	-0.96400	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.14155	m_x,0,0	0.96400	0.00000	0.00000
8	0.75000	0.75000	0.35845	-m_x,0,0	-0.96400	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.64155	-m_x,0,0	-0.96400	0.00000	0.00000
10	0.25000	0.25000	0.85845	m_x,0,0	0.96400	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.14155	-m_x,0,0	-0.96400	0.00000	0.00000
12	0.25000	0.75000	0.35845	m_x,0,0	0.96400	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.14155	-m_x,0,0	-0.96400	0.00000	0.00000
14	0.75000	0.25000	0.35845	m_x,0,0	0.96400	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.64155	-m_x,0,0	-0.96400	0.00000	0.00000
16	0.75000	0.75000	0.85845	m_x,0,0	0.96400	0.00000	0.00000

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	0.25000	0.25000	0.12820	m_x,0,0	2.77500	0.00000	0.00000
2	0.25000	0.25000	0.37180	-m_x,0,0	-2.77500	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.62820	m_x,0,0	2.77500	0.00000	0.00000
4	0.25000	0.75000	0.87180	-m_x,0,0	-2.77500	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.62820	m_x,0,0	2.77500	0.00000	0.00000
6	0.75000	0.25000	0.87180	-m_x,0,0	-2.77500	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.12820	m_x,0,0	2.77500	0.00000	0.00000
8	0.75000	0.75000	0.37180	-m_x,0,0	-2.77500	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.62820	-m_x,0,0	-2.77500	0.00000	0.00000
10	0.25000	0.25000	0.87180	m_x,0,0	2.77500	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.12820	-m_x,0,0	-2.77500	0.00000	0.00000
12	0.25000	0.75000	0.37180	m_x,0,0	2.77500	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.12820	-m_x,0,0	-2.77500	0.00000	0.00000
14	0.75000	0.25000	0.37180	m_x,0,0	2.77500	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.62820	-m_x,0,0	-2.77500	0.00000	0.00000
16	0.75000	0.75000	0.87180	m_x,0,0	2.77500	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1:

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

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

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

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

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

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.00000	0.25000	0.18070
2	0.50000	0.25000	0.31930
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.68070
4	0.50000	0.75000	0.81930
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.25000	0.68070
6	0.00000	0.25000	0.81930
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.75000	0.18070
8	0.00000	0.75000	0.31930
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.25000	0.68070
10	0.50000	0.25000	0.81930
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.75000	0.18070
12	0.50000	0.75000	0.31930
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.25000	0.18070
14	0.00000	0.25000	0.31930
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.75000	0.68070
16	0.00000	0.75000	0.81930

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.25000	0.00000	0.18070
2	0.25000	0.00000	0.31930
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.68070
4	0.25000	0.50000	0.81930
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.68070
6	0.75000	0.00000	0.81930
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.50000	0.18070
8	0.75000	0.50000	0.31930
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.00000	0.68070
10	0.25000	0.00000	0.81930
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.50000	0.18070
12	0.25000	0.50000	0.31930
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.00000	0.18070
14	0.75000	0.00000	0.31930
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.50000	0.68070
16	0.75000	0.50000	0.81930

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.25000	0.25000	0.14155	0.5	16	m_x,0,0	0.964(3)	0.0	0.0	0.96
Fe1	Fe	0.25000	0.25000	0.12820	0.5	16	m_x,0,0	2.775(4)	0.0	0.0	2.77

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.14155	m_x,0,0	0.96400	0.00000	0.00000
2	0.25000	0.25000	0.35845	-m_x,0,0	-0.96400	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.64155	m_x,0,0	0.96400	0.00000	0.00000
4	0.25000	0.75000	0.85845	-m_x,0,0	-0.96400	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.64155	m_x,0,0	0.96400	0.00000	0.00000
6	0.75000	0.25000	0.85845	-m_x,0,0	-0.96400	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.14155	m_x,0,0	0.96400	0.00000	0.00000
8	0.75000	0.75000	0.35845	-m_x,0,0	-0.96400	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.64155	-m_x,0,0	-0.96400	0.00000	0.00000
10	0.25000	0.25000	0.85845	m_x,0,0	0.96400	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.14155	-m_x,0,0	-0.96400	0.00000	0.00000
12	0.25000	0.75000	0.35845	m_x,0,0	0.96400	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.14155	-m_x,0,0	-0.96400	0.00000	0.00000
14	0.75000	0.25000	0.35845	m_x,0,0	0.96400	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.64155	-m_x,0,0	-0.96400	0.00000	0.00000
16	0.75000	0.75000	0.85845	m_x,0,0	0.96400	0.00000	0.00000

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	0.25000	0.25000	0.12820	m_x,0,0	2.77500	0.00000	0.00000
2	0.25000	0.25000	0.37180	-m_x,0,0	-2.77500	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.62820	m_x,0,0	2.77500	0.00000	0.00000
4	0.25000	0.75000	0.87180	-m_x,0,0	-2.77500	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.62820	m_x,0,0	2.77500	0.00000	0.00000
6	0.75000	0.25000	0.87180	-m_x,0,0	-2.77500	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.12820	m_x,0,0	2.77500	0.00000	0.00000
8	0.75000	0.75000	0.37180	-m_x,0,0	-2.77500	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.62820	-m_x,0,0	-2.77500	0.00000	0.00000
10	0.25000	0.25000	0.87180	m_x,0,0	2.77500	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.12820	-m_x,0,0	-2.77500	0.00000	0.00000
12	0.25000	0.75000	0.37180	m_x,0,0	2.77500	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.12820	-m_x,0,0	-2.77500	0.00000	0.00000
14	0.75000	0.25000	0.37180	m_x,0,0	2.77500	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.62820	-m_x,0,0	-2.77500	0.00000	0.00000
16	0.75000	0.75000	0.87180	m_x,0,0	2.77500	0.00000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA5-	2	2	special	primary	2

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

YBaCuFeO₅ (#1.285)

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

YBaCuFeO5 (#1.285)

YBaCuFeO₅ (#1.285)