Calcite
      Markgraf S A, Reeder R J
      American Mineralogist 70 (1985) 590-600
      High-temperature structure refinements of calcite and magnesite
      Sample: T = 800 C
      Note: B33 of Ca has been altered from the reported value
      _database_code_amcsd 0000989

      CELL PARAMETERS:    4.9760   4.9760  17.4880   90.000   90.000  120.000
      SPACE GROUP: R-3c      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    375.000
      Density (g/cm3):      2.659
      MAX. ABS. INTENSITY / VOLUME**2:      22.83899887    
      RIR:      2.797
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                23.01          8.31        3.8654    0   1   2         6
                29.10        100.00        3.0691    1   0   4         6
                30.67          1.52        2.9147    0   0   6         2
                36.10         14.60        2.4880    1   1   0         6
                39.38         12.39        2.2883    1   1   3        12
                43.25         10.84        2.0921    2   0   2         6
                46.59         16.00        1.9495    0   1   8         6
                47.02          5.76        1.9327    0   2   4         6
                48.08         13.96        1.8923    1   1   6        12
                56.77          1.49        1.6218    2   1   1        12
                57.56          5.63        1.6012    1   2   2        12
                60.31          2.02        1.5345    2   0   8         6
                60.45          1.07        1.5314    1   1   9        12
                60.67          4.01        1.5263    2   1   4        12
                63.87          1.98        1.4573    0   0  12         2
                64.92          3.23        1.4364    3   0   0         6
                69.19          1.07        1.3578    0   2  10         6
                72.35          1.79        1.3061    1   2   8        12
                75.62          1.42        1.2575    1   1  12        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.