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 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
8	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }

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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

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.75000	0.88560	1.	8	m_x,m_y,m_z	2.4	0.0	1.3	2.73
Mn2	Mn	0.00000	0.75000	0.62330	1.	8	m_x,m_y,m_z	2.4	0.0	1.3	2.73

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Y1_1	Y	0.27290	0.00000	0.00470	1.	4
Y1_2	Y	0.22710	0.00000	0.50470	1.	4
Ba1_1	Ba	0.25350	0.00000	0.25310	1.	4
Ba1_2	Ba	0.24650	0.00000	0.75310	1.	4
O1_1	O	0.23060	0.27920	0.09840	1.	8
O1_2	O	0.26940	0.72080	0.59840	1.	8
O2	O	0.00000	0.75000	0.74820	1.	8
O3_1	O	0.03430	0.00000	0.09320	1.	4
O3_2	O	0.46570	0.00000	0.59320	1.	4
O4_1	O	0.97090	0.00000	0.38440	1.	4
O4_2	O	0.52910	0.00000	0.88440	1.	4
O5	O	0.50000	0.75000	0.00000	1.	4
O6	O	0.00000	0.75000	0.00000	0.1	4

[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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.88560	m_x,m_y,m_z	2.40000	0.00000	1.30000
2	0.00000	0.75000	0.11440	-m_x,m_y,-m_z	-2.40000	0.00000	-1.30000
3	0.00000	0.25000	0.11440	m_x,m_y,m_z	2.40000	0.00000	1.30000
4	0.00000	0.25000	0.88560	-m_x,m_y,-m_z	-2.40000	0.00000	-1.30000
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5	0.50000	0.25000	0.38560	m_x,m_y,m_z	2.40000	0.00000	1.30000
6	0.50000	0.25000	0.61440	-m_x,m_y,-m_z	-2.40000	0.00000	-1.30000
7	0.50000	0.75000	0.61440	m_x,m_y,m_z	2.40000	0.00000	1.30000
8	0.50000	0.75000	0.38560	-m_x,m_y,-m_z	-2.40000	0.00000	-1.30000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.62330	m_x,m_y,m_z	2.40000	0.00000	1.30000
2	0.00000	0.75000	0.37670	-m_x,m_y,-m_z	-2.40000	0.00000	-1.30000
3	0.00000	0.25000	0.37670	m_x,m_y,m_z	2.40000	0.00000	1.30000
4	0.00000	0.25000	0.62330	-m_x,m_y,-m_z	-2.40000	0.00000	-1.30000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.25000	0.12330	m_x,m_y,m_z	2.40000	0.00000	1.30000
6	0.50000	0.25000	0.87670	-m_x,m_y,-m_z	-2.40000	0.00000	-1.30000
7	0.50000	0.75000	0.87670	m_x,m_y,m_z	2.40000	0.00000	1.30000
8	0.50000	0.75000	0.12330	-m_x,m_y,-m_z	-2.40000	0.00000	-1.30000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1_1:

Atom	x	y	z
1	0.27290	0.00000	0.00470
2	0.72710	0.00000	0.99530
(1/2,1/2,1/2) + set click here to show and hide
3	0.77290	0.50000	0.50470
4	0.22710	0.50000	0.49530

Set of atoms in the unit cell related by symmetry with the atom Y1_2:

Atom	x	y	z
1	0.22710	0.00000	0.50470
2	0.77290	0.00000	0.49530
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3	0.72710	0.50000	0.00470
4	0.27290	0.50000	0.99530

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

Atom	x	y	z
1	0.25350	0.00000	0.25310
2	0.74650	0.00000	0.74690
(1/2,1/2,1/2) + set click here to show and hide
3	0.75350	0.50000	0.75310
4	0.24650	0.50000	0.24690

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

Atom	x	y	z
1	0.24650	0.00000	0.75310
2	0.75350	0.00000	0.24690
(1/2,1/2,1/2) + set click here to show and hide
3	0.74650	0.50000	0.25310
4	0.25350	0.50000	0.74690

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

Atom	x	y	z
1	0.23060	0.27920	0.09840
2	0.76940	0.27920	0.90160
3	0.76940	0.72080	0.90160
4	0.23060	0.72080	0.09840
(1/2,1/2,1/2) + set click here to show and hide
5	0.73060	0.77920	0.59840
6	0.26940	0.77920	0.40160
7	0.26940	0.22080	0.40160
8	0.73060	0.22080	0.59840

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

Atom	x	y	z
1	0.26940	0.72080	0.59840
2	0.73060	0.72080	0.40160
3	0.73060	0.27920	0.40160
4	0.26940	0.27920	0.59840
(1/2,1/2,1/2) + set click here to show and hide
5	0.76940	0.22080	0.09840
6	0.23060	0.22080	0.90160
7	0.23060	0.77920	0.90160
8	0.76940	0.77920	0.09840

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

Atom	x	y	z
1	0.00000	0.75000	0.74820
2	0.00000	0.75000	0.25180
3	0.00000	0.25000	0.25180
4	0.00000	0.25000	0.74820
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.25000	0.24820
6	0.50000	0.25000	0.75180
7	0.50000	0.75000	0.75180
8	0.50000	0.75000	0.24820

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

Atom	x	y	z
1	0.03430	0.00000	0.09320
2	0.96570	0.00000	0.90680
(1/2,1/2,1/2) + set click here to show and hide
3	0.53430	0.50000	0.59320
4	0.46570	0.50000	0.40680

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

Atom	x	y	z
1	0.46570	0.00000	0.59320
2	0.53430	0.00000	0.40680
(1/2,1/2,1/2) + set click here to show and hide
3	0.96570	0.50000	0.09320
4	0.03430	0.50000	0.90680

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.97090	0.00000	0.38440
2	0.02910	0.00000	0.61560
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3	0.47090	0.50000	0.88440
4	0.52910	0.50000	0.11560

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.52910	0.00000	0.88440
2	0.47090	0.00000	0.11560
(1/2,1/2,1/2) + set click here to show and hide
3	0.02910	0.50000	0.38440
4	0.97090	0.50000	0.61560

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

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

Set of atoms in the unit cell related by symmetry with the atom O6:

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.75000	0.88560	8	m_x,m_y,m_z	2.4	0.0	1.3	2.73
Mn2	Mn	0.00000	0.75000	0.62330	8	m_x,m_y,m_z	2.4	0.0	1.3	2.73

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

label	dim. small irrep	dim. full irrep	action
mGM1+	1	1	primary
mGM2+	1	1	primary

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

YBaMn₂O_5.5 (#0.99)

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

YBaMn2O5.5 (#0.99)

YBaMn₂O_5.5 (#0.99)