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+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
3	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
4	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
7	-x,-y,-z,+1	{ -1 \| 0 }
8	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
(1/2,1/2,0) + set click here to show and hide
13	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
14	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
15	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
16	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
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
19	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
20	x,y,-z,-1	{ m'₀₀₁ \| 0 }
(0,1/2,0)' + set click here to show and hide
21	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
22	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
23	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
24	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
25	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
26	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
27	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
28	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
29	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
30	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
31	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
32	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	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	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\|
Fe1	Fe	0.00000	0.00000	0.00000	1.	8	m_x,m_y,0	2.69	-2.69	0.0	3.80
Fe2	Fe	0.00000	0.00000	0.16960	1.	16	m_x,m_y,0	-2.69	2.69	0.0	3.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Y1	Y	0.25000	0.25000	0.25000	1.	8
Ba1	Ba	0.25000	0.25000	0.08270	1.	16
O1	O	0.00000	0.00000	0.09085	1.	16
O2	O	0.25000	0.00000	0.19135	1.	16
O3	O	0.00000	0.25000	0.19070	1.	16
O4	O	0.00000	0.25000	0.00000	0.86	8
O5	O	0.25000	0.00000	0.00000	0.98	8

[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	m_x,m_y,0	2.69000	-2.69000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	m_x,m_y,0	2.69000	-2.69000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,0	2.69000	-2.69000	0.00000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000	m_x,m_y,0	2.69000	-2.69000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	-m_x,-m_y,0	-2.69000	2.69000	0.00000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000	-m_x,-m_y,0	-2.69000	2.69000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	-m_x,-m_y,0	-2.69000	2.69000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.50000	0.50000	-m_x,-m_y,0	-2.69000	2.69000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.16960	m_x,m_y,0	-2.69000	2.69000	0.00000
2	0.00000	0.50000	0.33040	m_x,m_y,0	-2.69000	2.69000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.66960	m_x,m_y,0	-2.69000	2.69000	0.00000
4	0.00000	0.00000	0.83040	m_x,m_y,0	-2.69000	2.69000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.66960	m_x,m_y,0	-2.69000	2.69000	0.00000
6	0.50000	0.50000	0.83040	m_x,m_y,0	-2.69000	2.69000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.16960	m_x,m_y,0	-2.69000	2.69000	0.00000
8	0.50000	0.00000	0.33040	m_x,m_y,0	-2.69000	2.69000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.66960	-m_x,-m_y,0	2.69000	-2.69000	0.00000
10	0.00000	0.50000	0.83040	-m_x,-m_y,0	2.69000	-2.69000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.50000	0.16960	-m_x,-m_y,0	2.69000	-2.69000	0.00000
12	0.00000	0.00000	0.33040	-m_x,-m_y,0	2.69000	-2.69000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.16960	-m_x,-m_y,0	2.69000	-2.69000	0.00000
14	0.50000	0.50000	0.33040	-m_x,-m_y,0	2.69000	-2.69000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.50000	0.66960	-m_x,-m_y,0	2.69000	-2.69000	0.00000
16	0.50000	0.00000	0.83040	-m_x,-m_y,0	2.69000	-2.69000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.25000	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 Ba1:

Atom	x	y	z
1	0.25000	0.25000	0.08270
2	0.75000	0.25000	0.41730
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.58270
4	0.75000	0.75000	0.91730
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.58270
6	0.25000	0.25000	0.91730
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.08270
8	0.25000	0.75000	0.41730
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.58270
10	0.75000	0.25000	0.91730
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.08270
12	0.75000	0.75000	0.41730
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.08270
14	0.25000	0.25000	0.41730
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.58270
16	0.25000	0.75000	0.91730

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

Atom	x	y	z
1	0.00000	0.00000	0.09085
2	0.00000	0.50000	0.40915
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.59085
4	0.00000	0.00000	0.90915
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.59085
6	0.50000	0.50000	0.90915
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.09085
8	0.50000	0.00000	0.40915
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.59085
10	0.00000	0.50000	0.90915
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.50000	0.09085
12	0.00000	0.00000	0.40915
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.09085
14	0.50000	0.50000	0.40915
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.50000	0.59085
16	0.50000	0.00000	0.90915

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.25000	0.00000	0.19135
2	0.75000	0.50000	0.30865
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.69135
4	0.75000	0.00000	0.80865
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.69135
6	0.25000	0.50000	0.80865
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.50000	0.19135
8	0.25000	0.00000	0.30865
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.00000	0.69135
10	0.75000	0.50000	0.80865
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.50000	0.19135
12	0.75000	0.00000	0.30865
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.00000	0.19135
14	0.25000	0.50000	0.30865
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.50000	0.69135
16	0.25000	0.00000	0.80865

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.00000	0.25000	0.19070
2	0.00000	0.25000	0.30930
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.69070
4	0.00000	0.75000	0.80930
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.25000	0.69070
6	0.50000	0.25000	0.80930
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.75000	0.19070
8	0.50000	0.75000	0.30930
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.25000	0.69070
10	0.00000	0.25000	0.80930
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.75000	0.19070
12	0.00000	0.75000	0.30930
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.25000	0.19070
14	0.50000	0.25000	0.30930
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.75000	0.69070
16	0.50000	0.75000	0.80930

Set of atoms in the unit cell related by symmetry with the atom O4:

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

Set of atoms in the unit cell related by symmetry with the atom O5:

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

[Hide]

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	m_x,m_y,0	2.69	-2.69	0.0	3.80
Fe2	Fe	0.00000	0.00000	0.16960	16	m_x,m_y,0	-2.69	2.69	0.0	3.80

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	2.69000	-2.69000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	m_x,m_y,0	2.69000	-2.69000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,0	2.69000	-2.69000	0.00000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000	m_x,m_y,0	2.69000	-2.69000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	-m_x,-m_y,0	-2.69000	2.69000	0.00000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000	-m_x,-m_y,0	-2.69000	2.69000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	-m_x,-m_y,0	-2.69000	2.69000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.50000	0.50000	-m_x,-m_y,0	-2.69000	2.69000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.16960	m_x,m_y,0	-2.69000	2.69000	0.00000
2	0.00000	0.50000	0.33040	m_x,m_y,0	-2.69000	2.69000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.66960	m_x,m_y,0	-2.69000	2.69000	0.00000
4	0.00000	0.00000	0.83040	m_x,m_y,0	-2.69000	2.69000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.66960	m_x,m_y,0	-2.69000	2.69000	0.00000
6	0.50000	0.50000	0.83040	m_x,m_y,0	-2.69000	2.69000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.16960	m_x,m_y,0	-2.69000	2.69000	0.00000
8	0.50000	0.00000	0.33040	m_x,m_y,0	-2.69000	2.69000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.66960	-m_x,-m_y,0	2.69000	-2.69000	0.00000
10	0.00000	0.50000	0.83040	-m_x,-m_y,0	2.69000	-2.69000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.50000	0.16960	-m_x,-m_y,0	2.69000	-2.69000	0.00000
12	0.00000	0.00000	0.33040	-m_x,-m_y,0	2.69000	-2.69000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.16960	-m_x,-m_y,0	2.69000	-2.69000	0.00000
14	0.50000	0.50000	0.33040	-m_x,-m_y,0	2.69000	-2.69000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.50000	0.66960	-m_x,-m_y,0	2.69000	-2.69000	0.00000
16	0.50000	0.00000	0.83040	-m_x,-m_y,0	2.69000	-2.69000	0.00000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes
mR3+	1	1	primary	2
mR4+	1	1	primary	2

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

YBa₂Fe₃O_7.84 (#1.221)

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

YBa2Fe3O7.84 (#1.221)

YBa₂Fe₃O_7.84 (#1.221)