Almandine
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R120145
      Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
      Physics and Chemistry of Minerals 22 (1995) 159-169
      Local structural environment of calcium in garnets:
      A combined structure-refinement and XANES investigation
      Note: sample MP12
      Locality: metasedimentary rocks of the Ivrea-Verbano Zone, Italy
      _database_code_amcsd 0007903

      CELL PARAMETERS:  11.6040 11.6040 11.6040   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ca     0.12500   0.00000   0.25000     0.170     0.630
            Fe     0.12500   0.00000   0.25000     0.520     0.630
            Mn     0.12500   0.00000   0.25000     0.013     0.630
            Mg     0.12500   0.00000   0.25000     0.307     0.630
            Al     0.00000   0.00000   0.00000     0.995     0.340
            Ti     0.00000   0.00000   0.00000     0.005     0.340
            Si     0.37500   0.00000   0.25000     1.000     0.370
            O      0.03440   0.04860   0.65280     1.000     0.580

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/- 10 +/- 10 +/- 10
            MAX. ABS. INTENSITY / VOLUME**2:      28.48149027    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.73          1.51        4.7373    2   1   1
                30.82         36.51        2.9010    4   0   0
                34.57        100.00        2.5947    4   2   0
                36.31          6.67        2.4740    3   3   2
                37.99         20.56        2.3687    4   2   2
                39.60         12.60        2.2757    4   3   1
                42.68         14.93        2.1186    5   2   1
                44.15          3.35        2.0513    4   4   0
                48.35          9.79        1.8824    5   3   2
                48.35         10.90        1.8824    6   1   1
                54.81         15.25        1.6749    4   4   4
                57.25         31.23        1.6092    6   4   0
                58.44          1.44        1.5791    5   5   2
                59.62         40.90        1.5506    6   4   2
                64.21          9.96        1.4505    8   0   0
                65.33          1.36        1.4284    7   4   1
                72.91          8.78        1.2974    8   4   0
                75.02         16.27        1.2661    8   4   2
                77.10          6.47        1.2370    6   6   4
                78.14          1.01        1.2232    7   5   4
                82.25          1.46        1.1722    9   4   1
                82.25          1.77        1.1722    8   5   3
                85.30          1.61        1.1379   10   2   0
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.