Aragonite
      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 = 113 C
      Note: P = 101 kPa
      _database_code_amcsd 0017830

      CELL PARAMETERS:    4.9594   7.9893   5.7584   90.000   90.000   90.000
      SPACE GROUP: Pmcn      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    228.160
      Density (g/cm3):      2.913
      MAX. ABS. INTENSITY / VOLUME**2:      10.31141167    
      RIR:      1.152
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                21.08          1.55        4.2136    1   1   0         4
                22.25          1.51        3.9946    0   2   0         2
                26.21        100.00        3.4005    1   1   1         8
                27.17         52.13        3.2822    0   2   1         4
                31.06          5.51        2.8792    0   0   2         2
                32.72          7.77        2.7371    1   2   1         8
                33.07         52.02        2.7087    0   1   2         4
                36.07         18.79        2.4900    1   0   2         4
                36.23         16.85        2.4797    2   0   0         2
                37.20         10.09        2.4171    0   3   1         4
                37.85         43.37        2.3772    1   1   2         8
                38.36         27.38        2.3462    1   3   0         4
                38.54         16.37        2.3357    0   2   2         4
                41.22         12.59        2.1903    2   1   1         8
                42.93         18.74        2.1068    2   2   0         4
                45.41          3.35        1.9973    0   4   0         2
                45.86         67.23        1.9785    2   2   1         8
                48.23         28.73        1.8870    0   4   1         4
                48.45         13.69        1.8789    2   0   2         4
                49.86          1.97        1.8290    2   1   2         8
                50.16         28.39        1.8188    1   3   2         8
                51.84          1.88        1.7637    1   4   1         8
                52.38         29.57        1.7468    1   1   3         8
                52.90          5.74        1.7309    2   3   1         8
                52.92         12.15        1.7301    0   2   3         4
                53.93          3.37        1.7002    2   2   2         8
                56.04          3.27        1.6411    0   4   2         4
                56.88          1.81        1.6188    3   1   0         4
                59.30          6.47        1.5584    3   1   1         8
                59.42          1.70        1.5555    2   4   0         4
                60.09          1.95        1.5397    0   5   1         4
                61.78          5.21        1.5017    2   4   1         8
                62.95          2.16        1.4764    3   2   1         8
                63.24          7.14        1.4704    1   5   1         8
                65.93          2.05        1.4168    0   1   4         4
                66.23          3.73        1.4111    3   1   2         8
                66.58          3.27        1.4045    3   3   0         4
                68.57          3.44        1.3685    2   4   2         8
                68.93          4.05        1.3623    1   1   4         8
                69.39          2.02        1.3543    0   2   4         4
                69.96          2.75        1.3448    1   5   2         8
                70.76          1.91        1.3316    0   6   0         2
                75.28          6.88        1.2623    3   3   2         8
                76.52          4.32        1.2450    2   0   4         4
                76.89          4.80        1.2399    4   0   0         2
                77.07          8.25        1.2375    3   1   3         8
                77.85          7.08        1.2270    1   3   4         8
                79.27          2.37        1.2086    0   6   2         4
                79.27          6.71        1.2085    2   4   3         8
                80.59          6.16        1.1920    1   5   3         8
                82.17          7.08        1.1731    2   6   0         4
                83.31          3.36        1.1599    4   2   1         8
                85.22          1.04        1.1388    4   0   2         4
                86.29          1.01        1.1274    4   1   2         8
                86.35          3.80        1.1267    3   5   1         8
                87.89          2.46        1.1109    1   1   5         8
                88.32          1.80        1.1066    0   2   5         4
                89.49          1.37        1.0951    4   2   2         8
                89.81          1.73        1.0921    1   7   1         8
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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.