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	{ 2₀₀₁ \| 1/2 0 0 }
3	x,-y,z,+1	{ m₀₁₀ \| 0 }
4	-x+1/2,y,z,+1	{ m₁₀₀ \| 1/2 0 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+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
7	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
8	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 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,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
11	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
12	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 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,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
15	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
16	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 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+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
19	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
20	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 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+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
23	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
24	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 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,-y,z,-1	{ 2'₀₀₁ \| 0 }
27	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }
28	-x,y,z,-1	{ m'₁₀₀ \| 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,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
31	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
32	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	x,-y,z,+1	m₀₁₀
4	-x,y,z,+1	m₁₀₀
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	m'₀₁₀
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.35900	8	m_x,0,0	2.51(15)	0.0	0.0	2.51
Cu1	Cu	0.25000	0.25000	0.13100	8	m_x,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Y1	Y	0.00000	0.00000	0.24950	8
Ba1	Ba	0.00000	0.00000	0.00300	8
O1	O	0.25000	0.25000	0.47750	8
O2_1	O	0.25000	0.00000	0.13300	8
O2_2	O	0.00000	0.25000	0.13300	8
O3_1	O	0.25000	0.00000	0.31850	8
O3_2	O	0.00000	0.25000	0.31850	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	0.25000	0.25000	0.35900	m_x,0,0	2.51000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.85900	m_x,0,0	2.51000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.85900	m_x,0,0	2.51000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.35900	m_x,0,0	2.51000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.85900	-m_x,0,0	-2.51000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.75000	0.35900	-m_x,0,0	-2.51000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.35900	-m_x,0,0	-2.51000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.85900	-m_x,0,0	-2.51000	0.00000	0.00000

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	0.13100	m_x,0,0	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.63100	m_x,0,0	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.63100	m_x,0,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.13100	m_x,0,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.63100	-m_x,0,0	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.75000	0.13100	-m_x,0,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.13100	-m_x,0,0	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.63100	-m_x,0,0	0.00000	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	0.24950
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.74950
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.74950
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.24950
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.74950
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.24950
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.24950
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.50000	0.74950

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

Atom	x	y	z
1	0.00000	0.00000	0.00300
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50300
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50300
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00300
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50300
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00300
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00300
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.50000	0.50300

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

Atom	x	y	z
1	0.25000	0.25000	0.47750
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.97750
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.97750
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.47750
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.97750
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.75000	0.47750
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.47750
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.97750

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

Atom	x	y	z
1	0.25000	0.00000	0.13300
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.50000	0.63300
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.63300
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.50000	0.13300
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.63300
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.50000	0.13300
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.13300
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.50000	0.63300

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

Atom	x	y	z
1	0.00000	0.25000	0.13300
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.75000	0.63300
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.25000	0.63300
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.75000	0.13300
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.25000	0.63300
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.75000	0.13300
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.25000	0.13300
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.75000	0.63300

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.25000	0.00000	0.31850
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.50000	0.81850
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.81850
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.50000	0.31850
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.81850
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.50000	0.31850
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.31850
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.50000	0.81850

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.00000	0.25000	0.31850
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.75000	0.81850
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.25000	0.81850
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.75000	0.31850
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.25000	0.81850
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.75000	0.31850
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.25000	0.31850
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.75000	0.81850

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.35900	8	m_x,0,0	2.51(15)	0.0	0.0	2.51
Cu1	Cu	0.25000	0.25000	0.13100	8	m_x,0,0	0.0	0.0	0.0	0.00

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

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

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

YBaCuFeO₅ (#1.281)

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

YBaCuFeO5 (#1.281)

YBaCuFeO₅ (#1.281)