Ca3Sc1.36Fe.64Si3O12
      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: adr30CaSc70
      _database_code_amcsd 0004187

      CELL PARAMETERS:   12.1917  12.1917  12.1917   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1812.144
      Density (g/cm3):      3.616
      MAX. ABS. INTENSITY / VOLUME**2:      22.35335977    
      RIR:      2.013
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                20.61          8.37        4.3104    2   2   0        12
                29.30         62.85        3.0479    4   0   0         6
                32.85        100.00        2.7261    4   2   0        24
                34.51          9.95        2.5993    3   3   2        24
                36.09         58.69        2.4886    4   2   2        24
                37.62         15.77        2.3910    4   3   1        48
                40.53         13.48        2.2259    5   2   1        48
                45.88         11.87        1.9778    5   3   2        48
                45.88         11.46        1.9778    6   1   1        24
                47.15          9.81        1.9277    6   2   0        24
                51.96          7.78        1.7597    4   4   4         8
                54.26         28.83        1.6907    6   4   0        24
                55.38          1.05        1.6591    6   3   3        24
                56.48         73.99        1.6292    6   4   2        48
                60.78         10.90        1.5240    8   0   0         6
                61.82          1.89        1.5007    7   4   1        48
                63.88          1.08        1.4572    6   5   3        48
                64.90          1.35        1.4368    8   2   2        24
                68.88         15.03        1.3631    8   4   0        24
                70.84         17.34        1.3302    8   4   2        48
                72.77         10.90        1.2996    6   6   4        24
                73.72          1.12        1.2851    7   5   4        48
                73.72          1.07        1.2851    8   5   1        48
                77.51          1.64        1.2315    8   5   3        48
                77.51          1.76        1.2315    9   4   1        48
                85.85          8.84        1.1320    8   6   4        48
                85.85          5.51        1.1320   10   4   0        24
                87.69         16.45        1.1129   10   4   2        48
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.