Diaoyudaoite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R130023
      Edstrom K, Thomas J O, Farrington G C
      Acta Crystallographica B47 (1991) 635-643
      Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina
      Locality: synthetic
      Sample: y = 0
      Note: anisoB's from ICSD
      _database_code_amcsd 0009848

      CELL PARAMETERS:   5.6163  5.6163 22.6260   90.000   90.000  120.000
      SPACE GROUP: P6_3/mmc  

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Na     0.66667   0.33333   0.25000     0.723     8.770
            Na     0.89702  -0.89702   0.25000     0.166    13.203
            Al    -0.16798  -0.33596   0.10610     0.963     0.387
            Al     0.33333   0.66667   0.02482     1.000     0.300
            Al     0.33333   0.66667   0.17576     1.000     0.482
            Al     0.00000   0.00000   0.00000     1.000     0.340
            Al    -0.16045  -0.32090   0.17523     0.037     0.387
            O      0.15712   0.31424   0.04998     1.000     0.403
            O      0.50305   0.49695   0.14633     1.000     0.395
            O      0.66667   0.33333   0.05525     1.000     0.411
            O      0.00000   0.00000   0.14219     1.000     0.371
            O      0.33333   0.66667   0.25000     1.000     4.239
            O      0.83333   0.16667   0.25000     0.037     0.237

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  4 +/- 20
            MAX. ABS. INTENSITY / VOLUME**2:      22.20161329    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                 7.81        100.00       11.3130    0   0   2
                15.67         26.98        5.6565    0   0   4
                18.66          1.47        4.7552    1   0   1
                19.87          9.55        4.4684    1   0   2
                21.74          5.41        4.0876    1   0   3
                29.98          1.05        2.9802    1   0   6
                31.64          1.81        2.8282    0   0   8
                31.87         10.06        2.8082    1   1   0
                33.28         25.51        2.6920    1   0   7
                35.70         18.00        2.5153    1   1   4
                36.76          2.46        2.4449    1   0   8
                36.96          1.69        2.4319    2   0   0
                37.18         12.10        2.4180    2   0   1
                37.84          4.75        2.3776    2   0   2
                38.91          1.32        2.3146    2   0   3
                39.84          1.64        2.2626    0   0  10
                40.03          9.67        2.2523    1   1   6
                40.37          2.94        2.2342    2   0   4
                40.39          1.45        2.2333    1   0   9
                42.19         12.21        2.1422    2   0   5
                44.15          1.66        2.0515    1   0  10
                44.32         14.66        2.0438    2   0   6
                46.74          8.51        1.9433    2   0   7
                49.43          4.15        1.8440    2   0   8
                55.47          2.41        1.6565    2   0  10
                56.13          1.19        1.6387    1   0  13
                56.78          1.29        1.6213    3   0   0
                56.98          1.12        1.6161    0   0  14
                57.69         10.38        1.5980    2   1   7
                58.80          7.73        1.5705    2   0  11
                59.01          1.35        1.5654    1   1  12
                59.29          3.10        1.5585    3   0   4
                60.02          1.94        1.5414    2   1   8
                62.34          3.09        1.4895    3   0   6
                62.60          1.01        1.4839    2   1   9
                65.41          1.88        1.4268    2   1  10
                66.01         12.21        1.4153    2   0  13
                66.60         22.21        1.4041    2   2   0
                67.18          2.34        1.3934    2   2   2
                68.90          2.61        1.3627    2   2   4
                69.88          9.97        1.3460    2   0  14
                76.52          3.59        1.2449    3   1   7
                78.83          1.30        1.2142    4   0   1
                83.54          1.20        1.1573    4   0   6
                87.32          1.25        1.1167    2   0  18
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.