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

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CaCo3V4O12 (#2.106)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. V. Ovsyannikov, E. Bykova, A. Pakhomova, D. P. Kozlenko, M. Bykov, S. E. Kichanov, N. V. Morozova, I. V. Korobeinikov, F. Wilhelm, A. Rogalev, A. A. Tsirlin, A. V. Kurnosov, Y. G. Zainulin, N. I. Kadyrova, A. P. Tyutyunnik, L. Dubrovinsky, Inorg. Chem. (2017) 56 6251 - 6263
DOI: 10.1021/acs.inorgchem.7b00330
Atomic positions from: ICSD #237335

Parent space group (paramagnetic phase): Im-3 (#204)
Propagation vector(s):
k1 (1, 1, 1)
k2 (0, 0, 1/2)

Transition Temperature: 100 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
7.34290 7.34290 14.68570 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pm'm'n' (#59.411) (non-standard)
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Transformation to a standard setting: (a,b,c;1/4,1/4,-1/8)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'm' (8.5.28)
    [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

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LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Co1_1Co0.000000.500000.2500020,0,mz0.00.02.1(1)2.10
Co1_2Co0.500000.000000.2500020,0,mz0.00.02.1(1)2.10
Co1_3Co0.500000.000000.0000020,0,mz0.00.02.1(1)2.10
Co1_4Co0.000000.500000.0000020,0,mz0.00.02.1(1)2.10
Co1_5Co0.500000.500000.0000020,0,mz0.00.0-3.5(1)3.50
Co1_6Co0.000000.000000.2500010,0,mz0.00.03.5(1).3.50

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mH4+ 3 3 special primary 3
mDT2 6 1 special primary 3


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Comments (symmetry):

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