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

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Ba3CoNb2O9 (#1.665)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: J. Jiao, S. Zhang, Q. Huang, M. Zhang, M.F. Shu, G. T. Lin, C. R. de la Cruz, V. O. Garlea, N. Butch, M. Matsuda, H. Zhou, J. Ma, Chem. Mater. (2022) 34 6617 - 6625
DOI: 10.1021/acs.chemmater.2c0157
Atomic positions from: ICSD #193962

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (1/3, 1/3, 1/2)

Transition Temperature: 1.10 K
Experiment Temperature: 0.244 K

Lattice parameters of the magnetic unit cell:
17.313 17.313 14.162 90.00 90.00 120.00
Transformation from parent structure: (3a,3b,2c;0,0,0)
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BNS Magnetic Space Group: Pc31c (#159.64) (non-standard)
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Transformation to a standard setting: (2/3a+1/3b,-1/3a+1/3b,c;2/9,1/9,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 3m1' (19.2.69)
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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|

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Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mH3 4 2 special primary 1
mA1- 1 1 secondary 1

Comments (symmetry):

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