Kalsilite
      
Diffraction data computed using the structure determined in our lab for sample R060801.

      CELL PARAMETERS:   5.1520  5.1520  8.6621   90.000   90.000  120.000
      SPACE GROUP: P6_3      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            K      1.00000   0.00000   0.20562     0.880     1.822
            Na     1.00000   0.00000   0.20562     0.120     1.822
            Al     0.33333   0.66667   0.01334     1.000     1.077
            Si     0.33333   0.66667   0.39523     1.000     1.078
            O      0.30472   0.68048   0.21117     0.333     3.924
            O      0.38287   0.98516   0.45403     1.000     2.195

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  4 +/-  7
            MAX. ABS. INTENSITY / VOLUME**2:      16.28878973    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                19.90          2.22        4.4618    1   0   0
                20.51         17.17        4.3310    0   0   2
                22.41         57.40        3.9665    1   0   1
                28.73        100.00        3.1077    1   0   2
                34.83         58.18        2.5760    1   1   0
                36.39         17.28        2.4691    1   1   1
                37.09         12.44        2.4241    1   0   3
                40.43          2.66        2.2309    2   0   0
                40.75          8.23        2.2140    1   1   2
                41.71         14.92        2.1655    0   0   4
                41.81          7.18        2.1604    2   0   1
                45.75          6.33        1.9832    2   0   2
                46.62          2.35        1.9482    1   0   4
                47.29          5.95        1.9222    1   1   3
                51.79          5.16        1.7653    2   0   3
                55.43          3.55        1.6576    1   1   4
                55.51          2.99        1.6553    1   2   1
                55.51          3.35        1.6553    2   1   1
                57.03          9.71        1.6150    1   0   5
                58.76          6.02        1.5715    1   2   2
                58.76          8.67        1.5715    2   1   2
                59.49          4.97        1.5538    2   0   4
                62.44         16.33        1.4873    3   0   0
                63.93          3.07        1.4562    1   2   3
                63.93          3.42        1.4562    2   1   3
                64.86          1.32        1.4376    1   1   5
                68.58          4.71        1.3683    2   0   5
                70.82          1.19        1.3305    1   2   4
                73.53          4.98        1.2880    2   2   0
                75.49          8.73        1.2594    1   1   6
                77.93          3.90        1.2260    3   0   4
                78.00          1.08        1.2250    1   3   1
                79.28          2.85        1.2084    1   2   5
                79.28          2.91        1.2084    2   1   5
                80.77          3.33        1.1899    3   1   2
                80.77          3.42        1.1899    1   3   2
                85.34          1.55        1.1374    1   3   3
                85.34          1.40        1.1374    3   1   3
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.