Calcite
      Antao S M, Hassan I
      The Canadian Mineralogist 48 (2010) 1225-1236
      Temperature dependence of the structural parameters
      in the transformation of aragonite to calcite,
      as determined from in situ synchrotron powder X-ray-diffraction data
      Locality: Cuenca, Spain
      Note: T = 681 C
      Note: P = 101 kPa
      _database_code_amcsd 0017868

      CELL PARAMETERS:    4.9759   4.9759  17.4486   90.000   90.000  120.000
      SPACE GROUP: R-3c      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    374.140
      Density (g/cm3):      2.665
      MAX. ABS. INTENSITY / VOLUME**2:      23.44291256    
      RIR:      2.864
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                23.02          7.88        3.8636    0   1   2         6
                29.13        100.00        3.0656    1   0   4         6
                30.75          1.44        2.9081    0   0   6         2
                36.10         14.18        2.4880    1   1   0         6
                39.39         12.57        2.2875    1   1   3        12
                43.25         12.14        2.0918    2   0   2         6
                46.68         16.06        1.9460    0   1   8         6
                47.04          5.32        1.9318    0   2   4         6
                48.13         15.56        1.8905    1   1   6        12
                56.77          1.82        1.6217    2   1   1        12
                57.57          6.99        1.6011    1   2   2        12
                60.39          1.85        1.5328    2   0   8         6
                60.55          1.19        1.5293    1   1   9        12
                60.69          3.60        1.5259    2   1   4        12
                64.04          2.06        1.4541    0   0  12         2
                64.92          3.11        1.4364    3   0   0         6
                69.30          1.39        1.3560    0   2  10         6
                72.42          1.61        1.3050    1   2   8        12
                75.77          1.32        1.2554    1   1  12        12
                80.70          1.30        1.1906    2   1  10        12
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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.