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	-y,-x,-z+3/4,+1	{ 2_1-10 \| 0 0 3/4 }
3	x,y,-z+3/4,+1	{ m₀₀₁ \| 0 0 3/4 }
4	-y,-x,z,+1	{ m₁₁₀ \| 0 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	-y,-x,-z+1/4,-1	{ 2'_1-10 \| 0 0 1/4 }
7	x,y,-z+1/4,-1	{ m'₀₀₁ \| 0 0 1/4 }
8	-y,-x,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,-x,-z,+1	2_1-10
3	x,y,-z,+1	m₀₀₁
4	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-y,-x,-z,-1	2'_1-10
7	x,y,-z,-1	m'₀₀₁
8	-y,-x,z,-1	m'₁₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	m_x,m_x,0	-3.97(5)	-3.97(5)	3.97
Fe2_1	Fe	0.66667	0.33333	0.42379	4	m_x,m_x,0	2.08(5)	2.08(5)	2.08
Fe2_2	Fe	0.33333	0.66667	0.67379	4	m_x,m_x,0	-0.50(2)	-0.50(2)	0.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.00000	0.00000	0.12500	2
Ba1_2	Ba	0.00000	0.00000	0.37500	2
Ba2_1	Ba	0.33333	0.66667	0.29482	4
Ba2_2	Ba	0.66667	0.33333	0.54482	4
O1_1	O	0.48470	0.96940	0.12500	4
O1_2	O	0.48470	0.51530	0.12500	2
O1_3	O	0.51530	0.03060	0.37500	4
O1_4	O	0.51530	0.48470	0.37500	2
O2_1	O	0.16990	0.33980	0.20800	8
O2_2	O	0.16990	0.83010	0.20800	4
O2_3	O	0.83010	0.66020	0.45800	8
O2_4	O	0.83010	0.16990	0.45800	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 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_x,0	-3.97000	-3.97000	0.00000
2	0.00000	0.00000	0.75000	-m_x,-m_x,0	3.97000	3.97000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,-m_x,0	3.97000	3.97000	0.00000
4	0.00000	0.00000	0.25000	m_x,m_x,0	-3.97000	-3.97000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.66667	0.33333	0.42379	m_x,m_x,0	2.08000	2.08000	0.00000
2	0.66667	0.33333	0.32621	-m_x,-m_x,0	-2.08000	-2.08000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.66667	0.33333	0.92379	-m_x,-m_x,0	-2.08000	-2.08000	0.00000
4	0.66667	0.33333	0.82621	m_x,m_x,0	2.08000	2.08000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.67379	m_x,m_x,0	-0.50000	-0.50000	0.00000
2	0.33333	0.66667	0.07621	-m_x,-m_x,0	0.50000	0.50000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.17379	-m_x,-m_x,0	0.50000	0.50000	0.00000
4	0.33333	0.66667	0.57621	m_x,m_x,0	-0.50000	-0.50000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.12500
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.62500

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

Atom	x	y	z
1	0.00000	0.00000	0.37500
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.87500

Set of atoms in the unit cell related by symmetry with the atom Ba2_1:

Atom	x	y	z
1	0.33333	0.66667	0.29482
2	0.33333	0.66667	0.45518
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.79482
4	0.33333	0.66667	0.95518

Set of atoms in the unit cell related by symmetry with the atom Ba2_2:

Atom	x	y	z
1	0.66667	0.33333	0.54482
2	0.66667	0.33333	0.20518
(0,0,1/2)' + set click here to show and hide
3	0.66667	0.33333	0.04482
4	0.66667	0.33333	0.70518

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

Atom	x	y	z
1	0.48470	0.96940	0.12500
2	0.03060	0.51530	0.62500
(0,0,1/2)' + set click here to show and hide
3	0.48470	0.96940	0.62500
4	0.03060	0.51530	0.12500

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

Atom	x	y	z
1	0.48470	0.51530	0.12500
(0,0,1/2)' + set click here to show and hide
2	0.48470	0.51530	0.62500

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.51530	0.03060	0.37500
2	0.96940	0.48470	0.37500
(0,0,1/2)' + set click here to show and hide
3	0.51530	0.03060	0.87500
4	0.96940	0.48470	0.87500

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.51530	0.48470	0.37500
(0,0,1/2)' + set click here to show and hide
2	0.51530	0.48470	0.87500

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

Atom	x	y	z
1	0.16990	0.33980	0.20800
2	0.66020	0.83010	0.54200
3	0.16990	0.33980	0.54200
4	0.66020	0.83010	0.20800
(0,0,1/2)' + set click here to show and hide
5	0.16990	0.33980	0.70800
6	0.66020	0.83010	0.04200
7	0.16990	0.33980	0.04200
8	0.66020	0.83010	0.70800

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

Atom	x	y	z
1	0.16990	0.83010	0.20800
2	0.16990	0.83010	0.54200
(0,0,1/2)' + set click here to show and hide
3	0.16990	0.83010	0.70800
4	0.16990	0.83010	0.04200

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.83010	0.66020	0.45800
2	0.33980	0.16990	0.29200
3	0.83010	0.66020	0.29200
4	0.33980	0.16990	0.45800
(0,0,1/2)' + set click here to show and hide
5	0.83010	0.66020	0.95800
6	0.33980	0.16990	0.79200
7	0.83010	0.66020	0.79200
8	0.33980	0.16990	0.95800

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.83010	0.16990	0.45800
2	0.83010	0.16990	0.29200
(0,0,1/2)' + set click here to show and hide
3	0.83010	0.16990	0.95800
4	0.83010	0.16990	0.79200

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	m_x,m_x,0	-3.97(5)	-3.97(5)	3.97
Fe2_1	Fe	0.66667	0.33333	0.42379	4	m_x,m_x,0	2.08(5)	2.08(5)	2.08
Fe2_2	Fe	0.33333	0.66667	0.67379	4	m_x,m_x,0	-0.50(2)	-0.50(2)	0.50

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA3	4	4	special	primary	3

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

BaFeO_2.96 (#1.808)

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

BaFeO2.96 (#1.808)

BaFeO_2.96 (#1.808)