Fresnoite
      Chukanov N V, Kazheva O N, Fischer R X, Aksenov S M
      Acta Crystallographica B79 (2023) S2052520622012045
      Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Lohley
      (Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability
      and vibrational spectroscopy of minerals and inorganic compounds with
      pentacoordinated TiIV and a titanyl bond
      Locality: Lohley, Eifel district, Germany
      _database_code_amcsd 0021205

      CELL PARAMETERS:    8.5104   8.5104   5.1975   90.000   90.000   90.000
      SPACE GROUP: P4bm      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    376.439
      Density (g/cm3):      4.470
      MAX. ABS. INTENSITY / VOLUME**2:      91.78518497    
      RIR:      6.687
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                14.72          3.36        6.0178    1   1   0         4
                17.06         10.48        5.1975    0   0   1         1
                20.88          5.84        4.2552    2   0   0         4
                22.61          9.33        3.9335    1   1   1         4
                23.37         16.20        3.8060    2   1   0         8
                27.08         40.37        3.2925    2   0   1         4
                29.08        100.00        3.0707    2   1   1         8
                29.69          7.33        3.0089    2   2   0         4
                33.29         23.71        2.6912    3   1   0         8
                34.44          1.60        2.6040    2   2   1         4
                34.51         15.07        2.5988    0   0   2         1
                37.64          6.72        2.3899    3   1   1         8
                38.13          1.14        2.3604    3   2   0         8
                40.68          5.33        2.2178    2   0   2         4
                42.04          1.24        2.1491    3   2   1         8
                42.10         19.45        2.1462    2   1   2         8
                42.49          1.53        2.1276    4   0   0         4
                43.86         17.13        2.0641    4   1   0         8
                45.20          8.66        2.0059    3   3   0         4
                46.10          2.63        1.9690    4   0   1         4
                46.16          3.35        1.9667    2   2   2         4
                47.39         17.00        1.9183    4   1   1         8
                47.80          4.43        1.9030    4   2   0         8
                48.65         13.41        1.8714    3   3   1         4
                48.71         11.56        1.8694    3   1   2         8
                52.84          1.86        1.7325    0   0   3         1
                55.85          1.27        1.6463    4   0   2         4
                56.98         10.26        1.6163    4   1   2         8
                57.43          4.25        1.6046    2   0   3         4
                58.04          4.65        1.5891    5   1   1         8
                58.09          6.74        1.5879    3   3   2         4
                58.39          1.01        1.5803    5   2   0         8
                58.54         11.87        1.5768    2   1   3         8
                60.28          1.78        1.5354    4   2   2         8
                61.31          7.68        1.5120    5   2   1         8
                61.65          1.43        1.5044    4   4   0         4
                63.77          3.01        1.4595    5   3   0         8
                65.85          3.50        1.4184    6   0   0         4
                66.55          3.35        1.4052    5   3   1         8
                68.58          2.96        1.3684    6   0   1         4
                69.63          2.31        1.3503    5   2   2         8
                70.91          1.55        1.3291    5   4   0         8
                71.03          6.88        1.3270    4   1   3         8
                72.03          4.08        1.3112    3   3   3         4
                72.57          4.39        1.3027    6   2   1         8
                72.78          1.32        1.2994    0   0   4         1
                73.55          4.04        1.2877    5   4   1         8
                74.57          3.29        1.2726    5   3   2         8
                76.52          3.97        1.2450    6   0   2         4
                77.65          2.10        1.2297    2   1   4         8
                79.79          1.98        1.2020    5   1   3         8
                80.36          1.31        1.1949    6   2   2         8
                81.31          2.66        1.1833    5   4   2         8
                82.42          3.18        1.1701    3   1   4         8
                82.52          2.37        1.1690    7   2   0         8
                82.64          3.43        1.1676    5   2   3         8
                84.11          1.11        1.1509    6   4   1         8
                85.06          2.31        1.1405    7   2   1         8
                87.36          1.86        1.1162    5   3   3         8
                89.03          2.33        1.0996    4   1   4         8
                89.24          1.27        1.0975    6   0   3         4
                89.97          1.92        1.0906    3   3   4         4
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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.