MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	2	c_p

origin shift
0	a_p
0	b_p
0	c_p

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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+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
3	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
4	-y+1/2,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 1/2 1/2 1/2 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }
8	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

a_s	b_s	c_s
1	1	0	a
-1	1	0	b
0	0	1	c

origin shift
1/2	a
0	b
0	c

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	y,x,z,+1	m_1-10
4	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	y,x,z,-1	m'_1-10
8	-y,-x,z,-1	m'₁₁₀

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Magnetic atoms:

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	4	m_x,m_y,0	2.085	2.085	0.0	2.95

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.16440	0.66440	0.25490	4
Ba1_2	Ba	0.66440	0.83560	0.74510	4
Si1_1	Si	0.36450	0.86450	0.48045	4
Si1_2	Si	0.86450	0.63550	0.51955	4
O1_1	O	0.00000	0.50000	0.06915	2
O1_2	O	0.50000	0.00000	0.93085	2
O2_1	O	0.36510	0.86510	0.13210	4
O2_2	O	0.86510	0.63490	0.86790	4
O3_1	O	0.07690	0.19840	0.08470	8
O3_2	O	0.19840	0.92310	0.91530	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	2.08500	2.08500	0.00000
2	0.50000	0.50000	0.00000	-m_y,-m_x,0	-2.08500	-2.08500	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,-m_y,0	-2.08500	-2.08500	0.00000
4	0.50000	0.50000	0.50000	m_y,m_x,0	2.08500	2.08500	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	0.16440	0.66440	0.25490
2	0.83560	0.33560	0.75490
(0,0,1/2)' + set click here to show and hide
3	0.16440	0.66440	0.75490
4	0.83560	0.33560	0.25490

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

Atom	x	y	z
1	0.66440	0.83560	0.74510
2	0.33560	0.16440	0.24510
(0,0,1/2)' + set click here to show and hide
3	0.66440	0.83560	0.24510
4	0.33560	0.16440	0.74510

Set of atoms in the unit cell related by symmetry with the atom Si1_1:

Atom	x	y	z
1	0.36450	0.86450	0.48045
2	0.63550	0.13550	0.98045
(0,0,1/2)' + set click here to show and hide
3	0.36450	0.86450	0.98045
4	0.63550	0.13550	0.48045

Set of atoms in the unit cell related by symmetry with the atom Si1_2:

Atom	x	y	z
1	0.86450	0.63550	0.51955
2	0.13550	0.36450	0.01955
(0,0,1/2)' + set click here to show and hide
3	0.86450	0.63550	0.01955
4	0.13550	0.36450	0.51955

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

Atom	x	y	z
1	0.00000	0.50000	0.06915
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.50000	0.56915

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

Atom	x	y	z
1	0.50000	0.00000	0.93085
(0,0,1/2)' + set click here to show and hide
2	0.50000	0.00000	0.43085

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

Atom	x	y	z
1	0.36510	0.86510	0.13210
2	0.63490	0.13490	0.63210
(0,0,1/2)' + set click here to show and hide
3	0.36510	0.86510	0.63210
4	0.63490	0.13490	0.13210

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

Atom	x	y	z
1	0.86510	0.63490	0.86790
2	0.13490	0.36510	0.36790
(0,0,1/2)' + set click here to show and hide
3	0.86510	0.63490	0.36790
4	0.13490	0.36510	0.86790

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

Atom	x	y	z
1	0.07690	0.19840	0.08470
2	0.92310	0.80160	0.58470
3	0.69840	0.57690	0.08470
4	0.30160	0.42310	0.58470
(0,0,1/2)' + set click here to show and hide
5	0.07690	0.19840	0.58470
6	0.92310	0.80160	0.08470
7	0.69840	0.57690	0.58470
8	0.30160	0.42310	0.08470

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

Atom	x	y	z
1	0.19840	0.92310	0.91530
2	0.80160	0.07690	0.41530
3	0.42310	0.69840	0.91530
4	0.57690	0.30160	0.41530
(0,0,1/2)' + set click here to show and hide
5	0.19840	0.92310	0.41530
6	0.80160	0.07690	0.91530
7	0.42310	0.69840	0.41530
8	0.57690	0.30160	0.91530

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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	4	m_x,m_y,0	2.085	2.085	0.0	2.95

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ5	2	2	special	primary	2

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

Ba₂FeSi₂O₇ (#1.641)

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

Ba2FeSi2O7 (#1.641)

Ba₂FeSi₂O₇ (#1.641)