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	{ 2₀₁₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
(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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
7	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
8	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(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,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
11	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
12	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
(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+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
15	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
16	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(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,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
19	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
20	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
(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+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
23	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
24	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
(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,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
27	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
28	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }
(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+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
31	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
32	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

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	0.14270	0.5	16	m_x,0,m_z	0.0	0.0	0.0	0.00
Fe1	Fe	0.25000	0.25000	0.12625	0.5	16	m_x,0,m_z	2.65(13)	0.0	1.48(15)	3.04

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	0.15780	1.	16
O2_2	O	0.25000	0.00000	0.15780	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	0.14270	m_x,0,m_z	0.00000	0.00000	0.00000
2	0.75000	0.25000	0.85730	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.64270	m_x,0,m_z	0.00000	0.00000	0.00000
4	0.75000	0.75000	0.35730	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.64270	m_x,0,m_z	0.00000	0.00000	0.00000
6	0.25000	0.25000	0.35730	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.14270	m_x,0,m_z	0.00000	0.00000	0.00000
8	0.25000	0.75000	0.85730	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.64270	-m_x,0,-m_z	0.00000	0.00000	0.00000
10	0.75000	0.25000	0.35730	m_x,0,m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.14270	-m_x,0,-m_z	0.00000	0.00000	0.00000
12	0.75000	0.75000	0.85730	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.14270	-m_x,0,-m_z	0.00000	0.00000	0.00000
14	0.25000	0.25000	0.85730	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.64270	-m_x,0,-m_z	0.00000	0.00000	0.00000
16	0.25000	0.75000	0.35730	m_x,0,m_z	0.00000	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	0.12625	m_x,0,m_z	2.65000	0.00000	1.48000
2	0.75000	0.25000	0.87375	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.62625	m_x,0,m_z	2.65000	0.00000	1.48000
4	0.75000	0.75000	0.37375	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.62625	m_x,0,m_z	2.65000	0.00000	1.48000
6	0.25000	0.25000	0.37375	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.12625	m_x,0,m_z	2.65000	0.00000	1.48000
8	0.25000	0.75000	0.87375	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.62625	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
10	0.75000	0.25000	0.37375	m_x,0,m_z	2.65000	0.00000	1.48000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.12625	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
12	0.75000	0.75000	0.87375	m_x,0,m_z	2.65000	0.00000	1.48000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.12625	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
14	0.25000	0.25000	0.87375	m_x,0,m_z	2.65000	0.00000	1.48000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.62625	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
16	0.25000	0.75000	0.37375	m_x,0,m_z	2.65000	0.00000	1.48000

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	0.15780
2	0.00000	0.25000	0.84220
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.65780
4	0.00000	0.75000	0.34220
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.25000	0.65780
6	0.50000	0.25000	0.34220
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.75000	0.15780
8	0.50000	0.75000	0.84220
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.25000	0.65780
10	0.00000	0.25000	0.34220
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.75000	0.15780
12	0.00000	0.75000	0.84220
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.25000	0.15780
14	0.50000	0.25000	0.84220
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.75000	0.65780
16	0.50000	0.75000	0.34220

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

Atom	x	y	z
1	0.25000	0.00000	0.15780
2	0.75000	0.00000	0.84220
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.65780
4	0.75000	0.50000	0.34220
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.65780
6	0.25000	0.00000	0.34220
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.50000	0.15780
8	0.25000	0.50000	0.84220
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.00000	0.65780
10	0.75000	0.00000	0.34220
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.50000	0.15780
12	0.75000	0.50000	0.84220
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.00000	0.15780
14	0.25000	0.00000	0.84220
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.50000	0.65780
16	0.25000	0.50000	0.34220

[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	0.14270	0.5	16	m_x,0,m_z	0.0	0.0	0.0	0.00
Fe1	Fe	0.25000	0.25000	0.12625	0.5	16	m_x,0,m_z	2.65(13)	0.0	1.48(15)	3.04

[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	0.14270	m_x,0,m_z	0.00000	0.00000	0.00000
2	0.75000	0.25000	0.85730	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.64270	m_x,0,m_z	0.00000	0.00000	0.00000
4	0.75000	0.75000	0.35730	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.64270	m_x,0,m_z	0.00000	0.00000	0.00000
6	0.25000	0.25000	0.35730	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.14270	m_x,0,m_z	0.00000	0.00000	0.00000
8	0.25000	0.75000	0.85730	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.64270	-m_x,0,-m_z	0.00000	0.00000	0.00000
10	0.75000	0.25000	0.35730	m_x,0,m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.14270	-m_x,0,-m_z	0.00000	0.00000	0.00000
12	0.75000	0.75000	0.85730	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.14270	-m_x,0,-m_z	0.00000	0.00000	0.00000
14	0.25000	0.25000	0.85730	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.64270	-m_x,0,-m_z	0.00000	0.00000	0.00000
16	0.25000	0.75000	0.35730	m_x,0,m_z	0.00000	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	0.12625	m_x,0,m_z	2.65000	0.00000	1.48000
2	0.75000	0.25000	0.87375	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.62625	m_x,0,m_z	2.65000	0.00000	1.48000
4	0.75000	0.75000	0.37375	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.62625	m_x,0,m_z	2.65000	0.00000	1.48000
6	0.25000	0.25000	0.37375	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.12625	m_x,0,m_z	2.65000	0.00000	1.48000
8	0.25000	0.75000	0.87375	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.25000	0.62625	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
10	0.75000	0.25000	0.37375	m_x,0,m_z	2.65000	0.00000	1.48000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.75000	0.12625	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
12	0.75000	0.75000	0.87375	m_x,0,m_z	2.65000	0.00000	1.48000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.25000	0.12625	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
14	0.25000	0.25000	0.87375	m_x,0,m_z	2.65000	0.00000	1.48000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.62625	-m_x,0,-m_z	-2.65000	0.00000	-1.48000
16	0.25000	0.75000	0.37375	m_x,0,m_z	2.65000	0.00000	1.48000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA5+	2	2	special	primary	2
mA2+	1	1		primary	2

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

YBaCuFeO₅ (#1.282)

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

YBaCuFeO5 (#1.282)

YBaCuFeO₅ (#1.282)