Mellite
      Robl C, Kuhs W F
      Journal of Solid State Chemistry 92 (1991) 101-109
      A neutron diffraction study on hydrogen bonding in the mineral mellite (Al2[C6(COO)6]*16H2O) at 15 K
      Sample: T = 15 K
      Locality: Tatabanya, Hungary
      _database_code_amcsd 0013713

      CELL PARAMETERS:   15.5530  15.5530  23.1100   90.000   90.000   90.000
      SPACE GROUP: I4_1/acd  
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   5590.212
      Density (g/cm3):      1.612
      MAX. ABS. INTENSITY / VOLUME**2:      3.696200019    
      RIR:      0.747
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                11.11        100.00        7.9663    1   1   2         8
                11.38         12.20        7.7765    2   0   0         4
                15.34         55.93        5.7775    0   0   4         2
                16.12         23.39        5.4988    2   2   0         4
                17.18         40.16        5.1625    2   1   3        16
                19.62          3.33        4.5254    3   1   2        16
                20.95         86.62        4.2404    3   2   1        16
                22.32         22.20        3.9831    2   2   4         8
                23.10          9.40        3.8496    2   1   5        16
                23.76          2.30        3.7451    3   1   4        16
                23.90          8.47        3.7229    4   1   1        16
                24.15         27.58        3.6852    4   0   2         8
                25.49         11.60        3.4942    3   3   2         8
                25.61          3.83        3.4778    4   2   0         8
                25.81         34.55        3.4515    2   0   6         8
                26.31         42.15        3.3878    4   1   3        16
                27.65          1.12        3.2258    4   0   4         8
                28.96          7.31        3.0828    4   3   1        16
                29.96         19.98        2.9825    2   1   7        16
                29.99         23.85        2.9796    4   2   4        16
                30.31          2.18        2.9492    5   1   2        16
                30.96         28.64        2.8888    0   0   8         2
                31.00          1.50        2.8843    4   3   3        16
                32.73         12.16        2.7364    4   0   6         8
                33.21          3.63        2.6974    5   1   4        16
                34.51          8.97        2.5990    5   3   2        16
                34.75          5.15        2.5812    4   2   6        16
                34.76         25.27        2.5806    4   3   5        16
                36.16          1.92        2.4843    4   1   7        16
                36.54          3.67        2.4591    6   2   0         8
                37.13          5.40        2.4217    5   3   4        16
                37.39         19.10        2.4053    6   2   2        16
                38.84          1.27        2.3188    4   0   8         8
                38.88          5.94        2.3165    5   4   3        16
                39.04         12.00        2.3069    6   3   1        16
                39.82          7.63        2.2640    4   3   7        16
                39.84          1.04        2.2627    6   2   4        16
                40.31          1.07        2.2374    6   1   5        16
                40.60          2.72        2.2221    4   2   8        16
                40.64          3.77        2.2201    6   3   3        16
                40.90          8.06        2.2064    3   2   9        16
                41.17          1.78        2.1928    5   3   6        16
                41.54          7.99        2.1737    5   2   7        16
                41.81          2.14        2.1607    5   5   2         8
                42.49          2.49        2.1273    7   2   1        16
                42.59          2.12        2.1227    4   1   9        16
                42.64          2.19        2.1202    6   4   2        16
                43.13          1.90        2.0974    5   1   8        16
                43.26         13.47        2.0916    3   1  10        16
                43.68          1.45        2.0724    6   3   5        16
                44.84          4.14        2.0215    6   1   7        16
                46.33          1.42        1.9597    5   3   8        16
                46.45          4.44        1.9550    3   3  10         8
                47.10          4.56        1.9293    6   0   8         8
                47.19          5.70        1.9258    0   0  12         2
                47.20          3.34        1.9255    7   3   4        16
                47.28         17.31        1.9224    8   1   1        16
                47.42         12.77        1.9172    8   0   2         8
                47.61          1.43        1.9100    5   5   6         8
                48.18          1.67        1.8888    3   2  11        16
                48.71          1.05        1.8694    2   0  12         8
                48.93          2.54        1.8614    8   2   2        16
                49.47          1.15        1.8426    8   0   4         8
                49.86          2.98        1.8288    6   5   5        16
                50.36          1.26        1.8118    6   1   9        16
                50.91          2.73        1.7936    7   2   7        16
                51.14          2.04        1.7863    7   5   2        16
                51.32          2.46        1.7803    8   1   5        16
                52.37          2.26        1.7471    6   6   4         8
                52.74          6.62        1.7356    8   0   6         8
                53.07          3.09        1.7258    4   0  12         8
                53.18          1.00        1.7223    2   1  13        16
                53.27          1.23        1.7195    8   4   2        16
                53.97          3.48        1.6990    5   2  11        16
                54.14          1.32        1.6939    8   2   6        16
                54.15          1.22        1.6937    8   3   5        16
                54.49          4.16        1.6841    6   2  10        16
                55.14          2.65        1.6656    8   1   7        16
                55.79          1.07        1.6479    7   6   3        16
                55.94          1.90        1.6436    3   2  13        16
                56.51          1.56        1.6284    5   1  12        16
                56.71          1.12        1.6232    6   1  11        16
                56.71          1.83        1.6232    9   3   2        16
                57.03          3.17        1.6147    2   0  14         8
                57.88          1.17        1.5933    7   1  10        16
                58.54          1.24        1.5768    6   4  10        16
                58.87          1.09        1.5686    9   1   6        16
                59.43          1.25        1.5553    8   6   0         8
                59.75          1.19        1.5477    6   6   8         8
                59.90          1.69        1.5441   10   1   1        16
                60.98          2.65        1.5195    4   0  14         8
                61.95          1.05        1.4979    7   2  11        16
                62.11          1.28        1.4944    9   4   5        16
                62.42          2.13        1.4877    8   0  10         8
                64.91          1.22        1.4365    6   4  12        16
                68.52          1.31        1.3694    8   6   8        16
                69.10          1.33        1.3593    5   2  15        16
                69.80          1.55        1.3475    8   2  12        16
                72.27          1.21        1.3073    8   1  13        16
                72.97          1.40        1.2966    3   2  17        16
                74.49          1.84        1.2738    9   8   3        16
                74.62          1.53        1.2718    8   3  13        16
                75.12          2.62        1.2647   12   0   4         8
                75.43          1.43        1.2602   10   6   6        16
                76.59          1.06        1.2439    9   8   5        16
                77.36          1.25        1.2335   11   3   8        16
                77.36          1.34        1.2335    9   7   8        16
                79.94          1.03        1.2001    6   4  16        16
                80.87          1.50        1.1886    9   5  12        16
                81.57          1.11        1.1801   11   4   9        16
                83.45          1.08        1.1583   10   8   6        16
                83.84          1.06        1.1539    9   8   9        16
                89.45          1.01        1.0955   10   5  13        16
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.