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

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Mn2CoReO6 (#1.480)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: C.E. Frank, E.E. McCabe, F. Orlandi, P. Manuel, X. Tan, Z. Deng, M. Croft, V. Cascos, T. Emge, H.L. Feng, S. Lapidus, C. Jin, M. Wu, M.R. Li, S. Ehrlich, S. Khalid, N. Quackenbush, S. Yu, D. Walker and M. Greenblatt, Chemical Communications (2019) 55 3331-3334.
DOI: 10.1039/c9cc00038k
Atomic positions from: same reference

Parent space group (paramagnetic phase): P21/n (#14) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 94 K
Experiment Temperature: 60 K

Lattice parameters of the magnetic unit cell:
10.46080 10.68420 7.62930 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PS-1 (#2.7) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,1/2a-1/2b,b;0,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1' (2.2.4)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Mn1_1Mn0.246500.275650.746000.91978mx,my,mz-1.323(7)1.156(6)1.657(9)2.42
Mn1_2Mn0.003500.525650.754000.91978mx,my,mz-1.3231.1561.6572.42
Co2_1Co0.250000.000000.500000.83944mx,my,mz0.02.41(1)0.02.41
Co2_2Co0.000000.250000.000000.83944mx,my,mz0.0-2.410.02.41
Re1_1Re0.250000.000000.000001.4mx,my,mz0.0-0.804(6)0.00.80
Re1_2Re0.000000.250000.500001.4mx,my,mz0.0-0.8040.00.80

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mE1-E2- 2 2 general primary 18


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