MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	-x,-y,-z,-1	{ -1' \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,y,-z,-1	2'₀₁₀
4	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.00000	0.30750	0.25000	4
Ge1	Ge	0.28600	0.09580	0.23190	8
O1	O	0.11330	0.09490	0.14443	8
O2	O	0.36680	0.25320	0.35450	8
O3	O	0.35650	0.03240	0.98020	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.90500	0.25000	m_x,0,m_z	4.30000	0.00000	1.14000
2	0.00000	0.09500	0.75000	-m_x,0,-m_z	-4.30000	0.00000	-1.14000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.40500	0.25000	m_x,0,m_z	4.30000	0.00000	1.14000
4	0.50000	0.59500	0.75000	-m_x,0,-m_z	-4.30000	0.00000	-1.14000

Atom	x	y	z
1	0.00000	0.30750	0.25000
2	0.00000	0.69250	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.80750	0.25000
4	0.50000	0.19250	0.75000

Atom	x	y	z
1	0.28600	0.09580	0.23190
2	0.28600	0.90420	0.73190
3	0.71400	0.09580	0.26810
4	0.71400	0.90420	0.76810
(1/2,1/2,0) + set click here to show and hide
5	0.78600	0.59580	0.23190
6	0.78600	0.40420	0.73190
7	0.21400	0.59580	0.26810
8	0.21400	0.40420	0.76810

Atom	x	y	z
1	0.11330	0.09490	0.14443
2	0.11330	0.90510	0.64443
3	0.88670	0.09490	0.35557
4	0.88670	0.90510	0.85557
(1/2,1/2,0) + set click here to show and hide
5	0.61330	0.59490	0.14443
6	0.61330	0.40510	0.64443
7	0.38670	0.59490	0.35557
8	0.38670	0.40510	0.85557

Atom	x	y	z
1	0.36680	0.25320	0.35450
2	0.36680	0.74680	0.85450
3	0.63320	0.25320	0.14550
4	0.63320	0.74680	0.64550
(1/2,1/2,0) + set click here to show and hide
5	0.86680	0.75320	0.35450
6	0.86680	0.24680	0.85450
7	0.13320	0.75320	0.14550
8	0.13320	0.24680	0.64550

Atom	x	y	z
1	0.35650	0.03240	0.98020
2	0.35650	0.96760	0.48020
3	0.64350	0.03240	0.51980
4	0.64350	0.96760	0.01980
(1/2,1/2,0) + set click here to show and hide
5	0.85650	0.53240	0.98020
6	0.85650	0.46760	0.48020
7	0.14350	0.53240	0.51980
8	0.14350	0.46760	0.01980

Reference: L. Ding, C.V. Colin, C. Darie, J. Robert, F. Gay and P. Bordet, Physical Review B (2016) 93.
DOI: 10.1103/physrevb.93.064423
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/c (#15)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 15 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
10.27940 9.17560 5.47140 90.00 104.24 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/c (#15.87) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m (5.3.14)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.90500	0.25000	4	m_x,0,m_z	4.30(1)	0.0	1.14(3)	4.17

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.90500	0.25000	m_x,0,m_z	4.30000	0.00000	1.14000
2	0.00000	0.09500	0.75000	-m_x,0,-m_z	-4.30000	0.00000	-1.14000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.40500	0.25000	m_x,0,m_z	4.30000	0.00000	1.14000
4	0.50000	0.59500	0.75000	-m_x,0,-m_z	-4.30000	0.00000	-1.14000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	2

Comments:

NPD
positional structure from a room temperature measurement

Comments (symmetry):

1k magnetic structure
k-maximal magnetic structure (4 possible)
1-dim irrep active
Linear magnetolectricity is symmetry allowed and is observed. An alternative model of lower symmetry was reported earlier (see entry # 0.155). Contrary to the statement in the report of the present structure, this previous model is not incompatible with linear magnetoelectricity, and cannot be discarded with this argument.

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

CaMnGe2O6 (#0.156)

CaMnGe₂O₆ (#0.156)