Mascagnite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R141105
      Schlemper E O, Hamilton W C
      Journal of Chemical Physics 44 (1966) 4498-4509
      Neutron-diffraction study of the structures of ferroelectric and paraelectric
      ammonium sulfate
      Note: paraelectric, T = 298 K
      Locality: synthetic
      _database_code_amcsd 0012986

      CELL PARAMETERS:   7.7760 10.6180  5.9840   90.000   90.000   90.000
      SPACE GROUP: Pnam      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            N      0.68950   0.40250   0.25000     1.000     2.248
            N      0.96770   0.70500   0.25000     1.000     2.485
            H      0.81000   0.37200   0.25000     1.000     7.461
            H      0.60000   0.34300   0.25000     1.000     7.580
            H      0.67600   0.45700   0.12200     1.000     8.983
            H      0.06900   0.64900   0.25000     1.000     6.122
            H      0.99100   0.79200   0.25000     1.000     8.814
            H      0.89300   0.68200   0.12400     1.000     7.785
            S      0.24400   0.41920   0.25000     1.000     2.016
            O      0.06120   0.38870   0.25000     1.000     4.356
            O      0.27010   0.55590   0.25000     1.000     3.335
            O      0.32390   0.36650   0.04880     1.000     3.432

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  7 +/-  9 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      8.048992548    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                16.70         10.88        5.3090    0   2   0
                17.01         22.69        5.2131    0   1   1
                20.25         49.81        4.3846    1   2   0
                20.51        100.00        4.3301    1   1   1
                22.87         33.94        3.8880    2   0   0
                28.45         22.86        3.1368    2   2   0
                28.64         20.01        3.1167    2   1   1
                29.32         46.56        3.0464    0   3   1
                29.86         27.16        2.9920    0   0   2
                32.22          1.77        2.7782    2   2   1
                33.17          4.77        2.7006    1   1   2
                33.77         14.68        2.6545    0   4   0
                34.41          4.62        2.6066    0   2   2
                35.66         10.34        2.5181    3   1   0
                36.35          1.54        2.4714    1   2   2
                37.51          2.37        2.3980    2   3   1
                37.95          1.59        2.3712    2   0   2
                38.80          8.13        2.3209    3   1   1
                38.88          2.79        2.3163    1   4   1
                38.92         10.10        2.3142    2   1   2
                41.18          3.69        2.1923    2   4   0
                41.18          4.27        2.1923    1   3   2
                41.61          1.33        2.1706    3   2   1
                41.72         12.20        2.1650    2   2   2
                43.26          3.12        2.0912    3   3   0
                46.08          4.11        1.9699    2   3   2
                46.73          2.24        1.9440    4   0   0
                46.88          3.91        1.9382    1   5   1
                47.55          1.44        1.9122    4   1   0
                47.85          2.18        1.9009    1   1   3
                48.87          1.03        1.8637    2   5   0
                51.49          1.37        1.7747    2   0   3
                51.65          1.48        1.7697    0   6   0
                52.67          2.06        1.7377    0   3   3
                53.07          1.02        1.7255    1   6   0
                54.08          1.76        1.6959    1   3   3
                56.12          1.65        1.6388    4   3   1
                56.45          3.72        1.6301    4   0   2
                57.19          1.57        1.6107    2   6   0
                59.08          1.31        1.5635    3   1   3
                60.81          2.74        1.5232    0   6   2
                62.04          2.76        1.4960    0   0   4
                62.30          2.74        1.4903    5   1   1
                62.75          1.04        1.4806    4   3   2
                63.00          1.40        1.4754    2   4   3
                63.24          1.63        1.4704    0   7   1
                65.86          2.56        1.4182    2   6   2
                69.63          1.11        1.3503    2   2   4
                70.51          2.27        1.3355    5   2   2
                74.14          1.30        1.2789    3   7   1
                77.77          1.25        1.2280    5   5   1
                78.51          1.49        1.2184    5   1   3
                80.50          1.11        1.1931    1   7   3
                81.96          1.01        1.1756    1   1   5
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.