Thaumasite
      Pekov I V, Chukanov N V, Britvin S N, Kabalov Y K, Gottlicher J, Yapaskurt V O,
      Zadov A E, Krivovichev S V, Schuller W, Ternes B
      Mineralogical Magazine 76 (2012) 1133-1152
      The sulfite anion in ettringite-group minerals: a new mineral species
      hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
      solid-solution series
      Note: sample Zb-01, single crystal
      Locality: Zeilberg basalt quarry, Maroldsweisach, Franconia, Bavaria
      _database_code_amcsd 0019543

      CELL PARAMETERS:   11.0700  11.0700  10.4397   90.000   90.000  120.000
      SPACE GROUP: P6_3      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1107.934
      Density (g/cm3):      1.783
      MAX. ABS. INTENSITY / VOLUME**2:      10.65272943    
      RIR:      1.945
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                 9.22        100.00        9.5869    1   0   0         6
                12.54          2.37        7.0612    1   0   1         6
                16.01         37.72        5.5350    1   1   0         6
                18.14          9.92        4.8902    1   1   1         6
                18.51          2.85        4.7935    2   0   0         6
                19.36         20.74        4.5844    1   0   2         6
                20.39          2.01        4.3562    2   0   1         6
                23.43         40.20        3.7975    1   1   2         6
                24.57          1.95        3.6235    2   1   0         6
                25.22         11.10        3.5306    2   0   2         6
                26.03         14.58        3.4232    2   1   1         6
                26.03          6.42        3.4232    1   2   1         6
                27.26          2.05        3.2711    1   0   3         6
                27.92          9.34        3.1956    3   0   0         6
                30.34          1.97        2.9460    1   1   3         6
                32.86         23.68        2.7254    3   0   2         6
                33.71          1.49        2.6589    1   3   0         6
                34.36          6.96        2.6099    0   0   4         1
                34.82          5.06        2.5767    1   3   1         6
                34.82          2.09        2.5767    3   1   1         6
                35.78         14.81        2.5099    1   2   3         6
                35.78          7.40        2.5099    2   1   3         6
                37.98          1.19        2.3693    1   3   2         6
                37.98          3.25        2.3693    3   1   2         6
                39.31          2.65        2.2922    2   0   4         6
                41.04          1.09        2.1994    2   3   0         6
                41.04          3.50        2.1994    3   2   0         6
                41.46          2.50        2.1781    4   0   2         6
                41.70         21.48        2.1660    2   2   3         6
                41.98          6.47        2.1521    2   3   1         6
                42.80          6.41        2.1128    1   3   3         6
                42.80          4.98        2.1128    3   1   3         6
                43.25          1.24        2.0920    4   1   0         6
                44.40          1.34        2.0401    1   0   5         6
                44.71          3.93        2.0268    2   3   2         6
                45.98          1.44        1.9739    4   0   3         6
                46.48          1.86        1.9536    1   1   5         6
                46.78          3.17        1.9419    4   1   2         6
                47.42          6.04        1.9174    5   0   0         6
                48.90          1.19        1.8626    3   1   4         6
                50.21          4.84        1.8168    3   3   1         6
                50.45          2.18        1.8091    1   2   5         6
                50.45          2.26        1.8091    2   1   5         6
                50.72          1.50        1.7998    5   0   2         6
                51.17          1.74        1.7851    2   4   1         6
                51.79          1.02        1.7653    4   0   4         6
                52.60          1.80        1.7400    0   0   6         1
                52.61          3.41        1.7395    3   3   2         6
                53.53          1.95        1.7120    1   0   6         6
                55.35          2.00        1.6599    1   1   6         6
                56.00          1.68        1.6422    1   3   5         6
                56.00          1.21        1.6422    3   1   5         6
                56.26          1.06        1.6352    5   1   2         6
                56.36          2.06        1.6324    1   4   4         6
                56.36          3.86        1.6324    4   1   4         6
                57.70          3.08        1.5978    6   0   0         6
                59.30          1.20        1.5584    3   4   1         6
                59.86          4.42        1.5452    5   0   4         6
                63.12          2.03        1.4730    2   2   6         6
                63.13          1.13        1.4728    2   5   2         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.