Hatrurite
      Nishi F, Takeuchi Y
      Zeitschrift fur Kristallographie 168 (1984) 197-212
      The rhombohedral structure of tricalcium silicate at 1200 C
      Locality: synthetic
      Sample: T = 1200 C
      Note: cannot reconcile reported structure with reported bond lengths
      _database_code_amcsd 0010872

      CELL PARAMETERS:    7.1350   7.1350  25.5860   90.000   90.000  120.000
      SPACE GROUP: R3m       
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1128.031
      Density (g/cm3):      3.022
      MAX. ABS. INTENSITY / VOLUME**2:      10.54305416    
      RIR:      1.136
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                14.75         63.22        6.0064    1   0   1         3
                15.93         39.55        5.5641    0   1   2         3
                19.98         13.59        4.4441    1   0   4         3
                22.56         18.08        3.9412    0   1   5         3
                24.96          3.89        3.5675    1   1   0         6
                27.09          1.00        3.2912    1   1   3         6
                28.37         12.76        3.1459    1   0   7         3
                29.11         42.19        3.0673    0   2   1         3
                29.75         12.78        3.0032    2   0   2         3
                31.47         54.81        2.8429    0   0   9         1
                31.50          9.04        2.8403    0   1   8         3
                32.18         86.40        2.7820    0   2   4         3
                32.73          3.97        2.7362    1   1   6         6
                33.89        100.00        2.6449    2   0   5         3
                38.07          2.96        2.3640    1   0  10         3
                38.14          3.88        2.3596    0   2   7         3
                38.72          7.65        2.3258    2   1   1         6
                39.21          3.57        2.2975    1   2   2         6
                40.58          8.13        2.2233    1   1   9         6
                40.60          9.24        2.2221    2   0   8         3
                41.15          9.06        2.1938    2   1   4         6
                45.29          2.14        2.0021    0   3   3         3
                45.29          3.57        2.0021    3   0   3         3
                46.06          6.68        1.9706    0   2  10         3
                46.12          1.93        1.9680    2   1   7         6
                48.25          4.37        1.8861    1   2   8         6
                49.02          1.00        1.8582    2   0  11         3
                49.12          2.07        1.8547    3   0   6         3
                51.21         35.93        1.7838    2   2   0         6
                52.19          1.15        1.7525    0   1  14         3
                53.09          1.83        1.7249    2   1  10         6
                55.06          1.02        1.6679    0   3   9         3
                55.35         12.13        1.6599    0   2  13         3
                55.51          1.27        1.6554    1   3   4         6
                56.64          1.44        1.6251    3   1   5         6
                58.69          9.68        1.5730    2   0  14         3
                59.99          1.22        1.5420    4   0   1         3
                61.36         15.82        1.5110    2   2   9         6
                61.78          4.47        1.5016    4   0   4         3
                62.84          5.99        1.4789    0   4   5         3
                65.69          2.21        1.4214    0   0  18         1
                66.34          1.10        1.4090    2   3   2         6
                67.31          1.04        1.3910    0   4   8         3
                69.47          1.08        1.3531    2   0  17         3
                78.75          1.75        1.2152    4   0  13         3
                81.60          1.34        1.1798    0   4  14         3
                87.81          2.78        1.1116    2   2  18         6
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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.