(K.67Th.33)TiO3
      Chakhmouradian A R, Mitchell R H
      American Mineralogist 86 (2001) 1076-1080
      Crystal structure of novel high-pressure perovskite K2/3Th1/3TiO3,
      a possible host for Th in the upper mantle
      _database_code_amcsd 0002671

      CELL PARAMETERS:    3.9007   3.9007   7.8099   90.000   90.000   90.000
      SPACE GROUP: P4/mmm    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    118.831
      Density (g/cm3):      5.443
      MAX. ABS. INTENSITY / VOLUME**2:      96.63766974    
      RIR:      5.781
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                11.33         30.39        7.8099    0   0   1         2
                22.77          3.60        3.9049    0   0   2         2
                22.80          6.80        3.9007    1   0   0         4
                25.53         16.23        3.4897    1   0   1         8
                32.44        100.00        2.7597    1   0   2         8
                32.46         49.93        2.7582    1   1   0         4
                34.45          1.04        2.6033    0   0   3         2
                34.49          6.06        2.6008    1   1   1         8
                40.02         32.89        2.2529    1   1   2         8
                41.71          4.32        2.1654    1   0   3         8
                46.51         18.41        1.9525    0   0   4         2
                46.57         37.78        1.9504    2   0   0         4
                48.06          4.82        1.8932    1   1   3         8
                48.08          3.49        1.8922    2   0   1         8
                52.40          2.20        1.7460    1   0   4         8
                52.44          2.27        1.7448    2   0   2         8
                52.45          2.19        1.7444    2   1   0         8
                53.85          4.42        1.7025    2   1   1        16
                57.86         17.80        1.5936    1   1   4         8
                57.90         34.20        1.5927    2   1   2        16
                59.19          1.08        1.5609    2   0   3         8
                64.23          1.37        1.4500    1   0   5         8
                64.28          2.47        1.4492    2   1   3        16
                67.93         19.18        1.3799    2   0   4         8
                67.97          9.82        1.3791    2   2   0         4
                69.17          1.15        1.3581    2   2   1         8
                72.69          2.06        1.3009    2   1   4        16
                72.72          1.06        1.3004    2   2   2         8
                77.27          6.73        1.2347    1   0   6         8
                77.35          6.71        1.2336    3   0   2         8
                77.36          6.71        1.2335    3   1   0         8
                78.44          1.14        1.2192    2   0   5         8
                78.50          1.27        1.2184    3   1   1        16
                81.82          2.84        1.1772    1   1   6         8
                81.90          6.18        1.1762    3   1   2        16
                82.98          1.34        1.1637    2   1   5        16
                86.37          8.91        1.1264    2   2   4         8
                87.51          1.56        1.1147    3   1   3        16
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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.