Ca3Sc1.74Fe.26Si3O12
      Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
      Woodland A B
      American Mineralogist 91 (2006) 1240-1248
      Site preference and local geometry of Sc in garnets: Part II.
      The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
      Locality: synthetic
      Sample: adr10CaSc90
      _database_code_amcsd 0004188

      CELL PARAMETERS:   12.2273  12.2273  12.2273   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1828.065
      Density (g/cm3):      3.555
      MAX. ABS. INTENSITY / VOLUME**2:      22.12811339    
      RIR:      2.027
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                20.54          5.32        4.3230    2   2   0        12
                29.21         59.16        3.0568    4   0   0         6
                32.75        100.00        2.7341    4   2   0        24
                34.40         10.28        2.6069    3   3   2        24
                35.98         54.09        2.4959    4   2   2        24
                37.51         15.99        2.3980    4   3   1        48
                40.40         13.57        2.2324    5   2   1        48
                45.74         11.57        1.9835    6   1   1        24
                45.74         12.19        1.9835    5   3   2        48
                47.00          8.44        1.9333    6   2   0        24
                51.80          8.41        1.7649    4   4   4         8
                54.09         29.19        1.6956    6   4   0        24
                55.20          1.15        1.6639    6   3   3        24
                56.30         70.48        1.6339    6   4   2        48
                60.58         10.17        1.5284    8   0   0         6
                61.62          1.93        1.5051    7   4   1        48
                63.67          1.13        1.4614    6   5   3        48
                64.69          1.04        1.4410    8   2   2        24
                68.66         14.10        1.3671    8   4   0        24
                70.60         17.59        1.3341    8   4   2        48
                72.52         10.16        1.3034    6   6   4        24
                73.47          1.16        1.2889    7   5   4        48
                73.47          1.10        1.2889    8   5   1        48
                77.24          1.79        1.2351    9   4   1        48
                77.24          1.64        1.2351    8   5   3        48
                85.54          5.56        1.1353   10   4   0        24
                85.54          8.89        1.1353    8   6   4        48
                87.37         15.74        1.1162   10   4   2        48
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.