La0.515Ca0.485Ba2Cu2.36Al0.64O6.78
      Hartweg M, Nick B, Walz L
      Acta Crystallographica C46 (1990) 2001-2003
      Structure of (LaxCa1-x)Ba2Cu2(AlyCu10y)O6.78 with x = 0.52 and y = 0.64
      _database_code_amcsd 0010194

      CELL PARAMETERS:    3.9080   3.9080  11.6470   90.000   90.000   90.000
      SPACE GROUP: P4/mmm    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    177.878
      Density (g/cm3):      5.986
      MAX. ABS. INTENSITY / VOLUME**2:      144.7815390    
      RIR:      7.875
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                 7.59          7.65       11.6470    0   0   1         2
                15.21          7.61        5.8235    0   0   2         2
                22.75         11.02        3.9080    1   0   0         4
                22.91          3.34        3.8823    0   0   3         2
                27.49          7.20        3.2450    1   0   2         8
                32.40         52.39        2.7634    1   1   0         4
                32.51        100.00        2.7543    1   0   3         8
                35.97          4.09        2.4966    1   1   2         8
                38.56         13.69        2.3349    1   0   4         8
                38.65          4.23        2.3294    0   0   5         2
                40.05         14.51        2.2513    1   1   3         8
                45.32          2.09        2.0009    1   0   5         8
                46.47         30.01        1.9540    2   0   0         4
                46.80          7.30        1.9412    0   0   6         2
                49.18          1.39        1.8525    2   0   2         8
                51.30          3.35        1.7810    1   1   5         8
                52.35          2.64        1.7477    2   1   0         8
                52.42          1.31        1.7454    2   0   3         8
                54.84          1.63        1.6740    2   1   2        16
                55.20          2.78        1.6639    0   0   7         2
                57.86         34.30        1.5937    2   1   3        16
                58.07          9.86        1.5884    1   1   6         8
                60.47          1.37        1.5309    1   0   7         8
                61.92          5.48        1.4985    2   1   4        16
                61.99          3.39        1.4970    2   0   5         8
                65.48          3.80        1.4254    1   1   7         8
                66.93          1.06        1.3980    2   1   5        16
                67.83          7.77        1.3817    2   2   0         4
                68.08          7.67        1.3771    2   0   6         8
                68.81          3.06        1.3643    1   0   8         8
                74.97          4.19        1.2668    2   0   7         8
                77.19          6.36        1.2358    3   1   0         8
                77.25          6.57        1.2350    3   0   3         8
                77.74          1.42        1.2285    1   0   9         8
                80.83          1.11        1.1891    3   0   4         8
                80.89          1.29        1.1884    2   2   5         8
                81.79          2.34        1.1776    3   1   3        16
                86.45          3.50        1.1257    2   2   6         8
                87.13          2.63        1.1186    2   1   8        16
                87.37          3.77        1.1162    1   0  10         8
                89.85          1.11        1.0917    3   1   5        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.