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\|
Mn1	Mn	0.00000	0.00000	0.006(3)	4	m_x,m_y,0	2.3(3)	2.2(3)	0.0	3.18

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1_1	Sr	0.8284(8)	0.3284(8)	0.251(4)	4
Sr1_2	Sr	0.3400(8)	0.1600(8)	0.756(4)	4
Si1_1	Si	0.6385(18)	0.1385(18)	0.041(4)	4
Si1_2	Si	0.1370(18)	0.3630(18)	0.977(5)	4
O1_1	O	0.00000	0.50000	0.414(4)	2
O1_2	O	0.50000	0.00000	0.581(4)	2
O2_1	O	0.6447(13)	0.1447(13)	0.377(4)	4
O2_2	O	0.1322(11)	0.3679(11)	0.629(4)	4
O3_1	O	0.0842(9)	0.1991(13)	0.401(4)	8
O3_2	O	0.1901(13)	0.9288(10)	0.609(4)	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00600	m_x,m_y,0	2.30000	2.20000	0.00000
2	0.50000	0.50000	0.00600	-m_y,-m_x,0	-2.20000	-2.30000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50600	-m_x,-m_y,0	-2.30000	-2.20000	0.00000
4	0.50000	0.50000	0.50600	m_y,m_x,0	2.20000	2.30000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1_1:

Atom	x	y	z
1	0.82840	0.32840	0.25100
2	0.17160	0.67160	0.75100
(0,0,1/2)' + set click here to show and hide
3	0.82840	0.32840	0.75100
4	0.17160	0.67160	0.25100

Set of atoms in the unit cell related by symmetry with the atom Sr1_2:

Atom	x	y	z
1	0.34000	0.16000	0.75600
2	0.66000	0.84000	0.25600
(0,0,1/2)' + set click here to show and hide
3	0.34000	0.16000	0.25600
4	0.66000	0.84000	0.75600

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

Atom	x	y	z
1	0.63850	0.13850	0.04100
2	0.36150	0.86150	0.54100
(0,0,1/2)' + set click here to show and hide
3	0.63850	0.13850	0.54100
4	0.36150	0.86150	0.04100

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

Atom	x	y	z
1	0.13700	0.36300	0.97700
2	0.86300	0.63700	0.47700
(0,0,1/2)' + set click here to show and hide
3	0.13700	0.36300	0.47700
4	0.86300	0.63700	0.97700

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

Atom	x	y	z
1	0.00000	0.50000	0.41400
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.50000	0.91400

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

Atom	x	y	z
1	0.50000	0.00000	0.58100
(0,0,1/2)' + set click here to show and hide
2	0.50000	0.00000	0.08100

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

Atom	x	y	z
1	0.64470	0.14470	0.37700
2	0.35530	0.85530	0.87700
(0,0,1/2)' + set click here to show and hide
3	0.64470	0.14470	0.87700
4	0.35530	0.85530	0.37700

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

Atom	x	y	z
1	0.13220	0.36790	0.62900
2	0.86780	0.63210	0.12900
(0,0,1/2)' + set click here to show and hide
3	0.13220	0.36790	0.12900
4	0.86780	0.63210	0.62900

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

Atom	x	y	z
1	0.08420	0.19910	0.40100
2	0.91580	0.80090	0.90100
3	0.69910	0.58420	0.40100
4	0.30090	0.41580	0.90100
(0,0,1/2)' + set click here to show and hide
5	0.08420	0.19910	0.90100
6	0.91580	0.80090	0.40100
7	0.69910	0.58420	0.90100
8	0.30090	0.41580	0.40100

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

Atom	x	y	z
1	0.19010	0.92880	0.60900
2	0.80990	0.07120	0.10900
3	0.42880	0.69010	0.60900
4	0.57120	0.30990	0.10900
(0,0,1/2)' + set click here to show and hide
5	0.19010	0.92880	0.10900
6	0.80990	0.07120	0.60900
7	0.42880	0.69010	0.10900
8	0.57120	0.30990	0.60900

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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	0.00000	0.006(3)	4	m_x,m_y,0	2.3(3)	2.2(3)	0.0	3.18

[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

Sr₂MnSi₂O₇ (#1.822)

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

Sr2MnSi2O7 (#1.822)

Sr₂MnSi₂O₇ (#1.822)