Pyrope
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R100153
      Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
      American Mineralogist 96 (2011) 1593-1605
      Static disorders of atoms and experimental determination of Debye temperature in
      pyrope: Low- and high-temperature single-crystal X-ray diffraction study
      Locality: synthetic
      Note: T = 723.0 K
      _database_code_amcsd 0018550

      CELL PARAMETERS:  11.5040 11.5040 11.5040   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Mg     0.12500   0.00000   0.25000     1.000     1.625
            Al     0.00000   0.00000   0.00000     1.000     0.651
            Si     0.37500   0.00000   0.25000     1.000     0.580
            O     -0.03323   0.04949   0.15357     1.000     0.910

            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:      13.58691910    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.90          7.74        4.6965    2   1   1
                21.85          1.74        4.0673    2   2   0
                29.04          7.17        3.0746    3   2   1
                31.10         56.86        2.8760    4   0   0
                34.88        100.00        2.5724    4   2   0
                36.64         34.64        2.4527    3   3   2
                38.33         21.94        2.3482    4   2   2
                39.96         25.71        2.2561    4   3   1
                43.07         10.92        2.1003    5   2   1
                44.55          2.45        2.0336    4   4   0
                48.80         11.09        1.8662    6   1   1
                48.80          6.49        1.8662    5   3   2
                50.15          7.08        1.8189    6   2   0
                54.07          2.05        1.6962    6   3   1
                55.33         13.92        1.6605    4   4   4
                57.79         38.09        1.5953    6   4   0
                60.20         60.86        1.5373    6   4   2
                63.70          2.69        1.4610    7   3   2
                64.84         10.70        1.4380    8   0   0
                65.97          2.66        1.4160    7   4   1
                68.20          3.44        1.3750    6   5   3
                72.58          1.67        1.3026    7   5   2
                73.65         11.84        1.2862    8   4   0
                75.79         15.27        1.2552    8   4   2
                76.84          3.36        1.2405    7   6   1
                77.90          8.73        1.2263    6   6   4
                78.95          1.77        1.2126    8   5   1
                78.95          2.06        1.2126    7   5   4
                83.12          3.35        1.1621    8   5   3
                83.12          2.59        1.1621    9   4   1
                85.19          1.11        1.1391   10   1   1
                86.22          1.48        1.1281   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.