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

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CaMn1.2Ni0.8ReO6 (#0.538)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: E. Solana-Madruga, Y. Sun, A. M. Arevalo-Lopez, J. P. Attfield, Chem. Commun. (2019) 55 2605 - 2608
DOI: 10.1039/c8cc09612k
Atomic positions from: same reference

Parent space group (paramagnetic phase): P42/n (#86)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 152 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
7.68680 7.68680 7.69300 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P42/n (#86.67) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/m (11.1.35)
    [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]
                                        

LabelAtom typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Mn1Mn0.250000.250000.250000.89220,0,mz0.00.03.0(1)3.00
Ni1Ni0.250000.250000.250000.10820,0,mz0.00.03.3.00
Mn2Mn0.250000.250000.750000.78820,0,mz0.00.01.2(2)1.20
Ni2Ni0.250000.250000.750000.21220,0,mz0.00.01.21.20
Mn3Mn0.000000.000000.000000.3664mx,my,mz0.00.01.2(1)1.20
Ni3Ni0.000000.000000.000000.6344mx,my,mz0.00.01.21.20
Re1Re0.000000.000000.500001.4mx,my,mz0.00.00.2(1)0.20

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1+ 1 1 primary 8


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