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

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Ca2Cr2O5 (#1.227)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A.M. Arevalo-Lopez and J.P. Attfield, Dalton Transactions (2015) 44 10661-10664.
DOI: 10.1039/c4dt03780d
Atomic positions from: ICSD #238797

Parent space group (paramagnetic phase): I2mb (#46) (non-standard)
Transformation to a standard setting: (c,a,b;0,0,0)
    [View matrix form]
Propagation vector: k1 (1, 1, 1)

Transition Temperature: 220 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
5.42000 14.77000 5.50900 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PC21 (#4.12) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b+c,-a,-b;0,1/4,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2.1' (3.2.7)
    [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 typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Cr1_1Cr0.001000.000000.0000020,my,mz0.01.08(5)-1.33(7)1.71
Cr1_2Cr0.001000.500000.0000020,my,mz0.01.08-1.331.71
Cr2Cr0.993000.250000.936004mx,my,mz0.01.081.331.71

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mX3 1 1 primary 3
mX4 1 1 primary 4


Comments:
Comments (symmetry):

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