MAGNDATA arrow Collection of Magnetic Structures

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

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BaCu3V2O8(OD)2 (#3.17)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: D. Boldrin, B. Fåk, E. Canevet, J. Ollivier, H. Walker, P. Manuel, D. Khalyavin and A. Wills, Physical Review Letters (2018) 121 107203.
DOI: 10.1103/physrevlett.121.107203
Atomic positions from: J. Mater. Chem. C, 2016, 4, 10315--10322

Parent space group (paramagnetic phase): P3121 (#152)
Propagation vector(s):
k1 (1/2, 0, 0)
k2 (1/2, 1/2, 0])
k3 (0, 1/2, 0)

Transition Temperature: 9 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
11.83570 11.83570 20.75990 90.00 90.00 120.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P312'1 (#152.35) (non-standard)
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Transformation to a standard setting: (a,b,c;1/2,1/2,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 32' (18.3.67)
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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

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LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|

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

Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mM2 3 1 special-2 primary 19

Comments (symmetry):

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