Realgar
      Kyono A
      American Mineralogist 94 (2009) 451-460
      Molecular conformation and anion configuration variations for As4S4 and As4Se4
      in an anion-substituted solid solution
      Locality: synthetic
      Note: S1Se1-3
      _database_code_amcsd 0004861

      CELL PARAMETERS:    9.4654  13.6771   6.6635   90.000  106.517   90.000
      SPACE GROUP: P2_1/n    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    827.055
      Density (g/cm3):      4.197
      MAX. ABS. INTENSITY / VOLUME**2:      18.08201540    
      RIR:      1.403
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                11.70          7.07        7.5617    1   1   0         4
                12.95          8.61        6.8386    0   2   0         2
                14.51         34.04        6.1043   -1   0   1         2
                15.31         60.68        5.7882    0   1   1         4
                15.90         25.83        5.5743   -1   1   1         4
                16.23        100.00        5.4615    1   2   0         4
                19.01         11.34        4.6684    0   2   1         4
                19.13          8.10        4.6398    1   0   1         2
                19.49          1.26        4.5539   -1   2   1         4
                19.56          5.21        4.5374    2   0   0         2
                21.55         14.28        4.1238   -2   1   1         4
                21.82          1.09        4.0738    1   3   0         4
                23.17          2.07        3.8395    1   2   1         4
                23.53         12.87        3.7809    2   2   0         4
                23.98          5.97        3.7110    0   3   1         4
                24.35          7.04        3.6554   -2   2   1         4
                26.06          3.90        3.4193    0   4   0         2
                27.62         12.99        3.2295   -1   1   2         4
                27.74         42.52        3.2161    2   3   0         4
                27.88         50.17        3.1997    1   4   0         4
                27.93         43.50        3.1943    0   0   2         2
                28.70         15.73        3.1106    0   1   2         4
                28.84         46.35        3.0954   -3   0   1         2
                29.26          1.56        3.0521   -2   0   2         2
                29.59         15.08        3.0191   -3   1   1         4
                29.63         17.48        3.0146    0   4   1         4
                29.89         24.56        2.9892   -1   2   2         4
                30.00         23.71        2.9789   -2   1   2         4
                30.18         48.35        2.9608    2   2   1         4
                30.26          2.56        2.9536    3   1   0         4
                30.90         17.78        2.8941    0   2   2         4
                31.73         27.61        2.8200   -3   2   1         4
                32.11          4.05        2.7871   -2   2   2         4
                32.36         16.62        2.7664    3   2   0         4
                32.53         62.11        2.7526    1   4   1         4
                32.80         21.57        2.7307    2   4   0         4
                32.92         26.80        2.7205    1   1   2         4
                33.41         11.06        2.6823   -2   4   1         4
                33.63          3.60        2.6650    2   3   1         4
                34.24         19.10        2.6190    1   5   0         4
                34.28          9.87        2.6161    0   3   2         4
                34.88          2.20        2.5722    1   2   2         4
                35.04          6.53        2.5609   -3   3   1         4
                35.19         22.36        2.5499   -3   1   2         4
                35.62         11.02        2.5206    3   3   0         4
                35.98         19.34        2.4962   -1   5   1         4
                36.29          6.00        2.4753    3   0   1         2
                36.90         10.67        2.4357    3   1   1         4
                37.05          9.19        2.4266   -3   2   2         4
                37.75          9.40        2.3832   -1   4   2         4
                37.99          1.02        2.3688    2   4   1         4
                38.43          2.25        2.3426    2   5   0         4
                38.69          6.33        2.3275    3   2   1         4
                38.82          1.85        2.3199    2   0   2         2
                39.53         17.73        2.2795    0   6   0         2
                39.73          2.49        2.2687    4   0   0         2
                39.79          5.01        2.2656    3   4   0         4
                39.97          6.40        2.2556   -3   3   2         4
                40.30          2.84        2.2381    4   1   0         4
                40.43          3.94        2.2308   -4   2   1         4
                40.67         18.21        2.2182   -1   0   3         2
                40.82         11.01        2.2108    1   6   0         4
                41.09          4.35        2.1969    2   2   2         4
                41.23          5.99        2.1896   -1   1   3         4
                41.77          9.94        2.1625   -4   0   2         2
                41.95         14.41        2.1537   -2   1   3         4
                41.96          4.70        2.1533    4   2   0         4
                42.31          3.69        2.1360   -4   1   2         4
                42.32          4.66        2.1355   -1   6   1         4
                42.82          2.03        2.1120   -1   5   2         4
                42.98          1.75        2.1042    0   1   3         4
                43.56          6.26        2.0778   -2   2   3         4
                43.91          6.03        2.0619   -4   2   2         4
                44.48          2.17        2.0369    2   6   0         4
                44.53          3.95        2.0348   -3   0   3         2
                44.66          1.90        2.0289    3   5   0         4
                44.95          1.50        2.0166   -2   6   1         4
                45.04          1.14        2.0126   -3   1   3         4
                45.22          6.95        2.0050    3   4   1         4
                45.47          2.42        1.9946   -1   3   3         4
                46.14          1.13        1.9674   -2   3   3         4
                46.61          6.06        1.9484    1   5   2         4
                46.99          4.08        1.9337    1   1   3         4
                47.61          2.05        1.9101    1   7   0         4
                48.06          1.96        1.8931   -5   0   1         2
                48.10          2.77        1.8918    4   2   1         4
                48.42          5.38        1.8798   -1   6   2         4
                48.47         15.84        1.8782    1   2   3         4
                48.55          2.26        1.8752   -5   1   1         4
                48.62         17.92        1.8727    2   6   1         4
                48.83          2.39        1.8649    3   2   2         4
                49.10         10.68        1.8555    0   6   2         4
                49.67         17.18        1.8355   -3   6   1         4
                49.90          2.55        1.8277   -4   4   2         4
                49.99         23.61        1.8245   -5   2   1         4
                50.49          4.58        1.8076    0   4   3         4
                50.50         15.95        1.8074    4   3   1         4
                50.85          4.41        1.7955    1   3   3         4
                51.12          7.75        1.7868   -4   5   1         4
                51.21          2.02        1.7839    3   3   2         4
                51.31          1.85        1.7806   -2   7   1         4
                51.66          2.06        1.7693    2   5   2         4
                51.90          2.95        1.7617    1   6   2         4
                52.14          1.78        1.7542    5   2   0         4
                52.32          8.69        1.7486   -3   4   3         4
                52.33          2.89        1.7483   -5   3   1         4
                52.85          1.58        1.7322    2   1   3         4
                53.16         14.36        1.7229   -1   5   3         4
                53.50          8.43        1.7127   -3   6   2         4
                53.61          6.93        1.7096    0   8   0         2
                53.75          1.01        1.7053   -2   5   3         4
                53.87          7.83        1.7020   -4   3   3         4
                54.06          4.39        1.6964   -4   5   2         4
                54.07         17.75        1.6961    1   4   3         4
                54.21         11.14        1.6920    2   2   3         4
                54.40          3.73        1.6864   -5   3   2         4
                54.62          4.71        1.6804    0   5   3         4
                54.63          4.24        1.6801    1   8   0         4
                54.74          4.43        1.6768    3   6   1         4
                55.10          1.68        1.6668    0   7   2         4
                55.28          5.80        1.6617   -2   0   4         2
                55.48          7.34        1.6562   -5   4   1         4
                55.63          1.13        1.6523   -3   7   1         4
                55.87          3.87        1.6456   -2   7   2         4
                55.99          1.07        1.6423    4   0   2         2
                56.03          3.32        1.6413    3   7   0         4
                56.09          6.75        1.6395   -4   6   1         4
                56.94          3.09        1.6173   -5   1   3         4
                56.95          6.75        1.6170    5   1   1         4
                56.96          2.74        1.6166   -4   4   3         4
                57.62          1.38        1.5998    2   8   0         4
                57.69          2.31        1.5979    4   5   1         4
                57.73          8.81        1.5969    4   2   2         4
                58.02          3.83        1.5897   -1   6   3         4
                58.24          1.78        1.5841    5   2   1         4
                58.58          1.89        1.5758   -2   6   3         4
                58.86          3.86        1.5689   -4   6   2         4
                59.19          3.45        1.5610   -3   7   2         4
                60.17          2.41        1.5379   -6   1   2         4
                60.28          6.33        1.5354   -6   2   1         4
                60.69          6.71        1.5261   -4   0   4         2
                61.04          2.26        1.5180   -3   6   3         4
                61.10          3.75        1.5167   -4   1   4         4
                61.11          7.16        1.5165    2   8   1         4
                61.47          1.93        1.5085    3   2   3         4
                61.52          2.64        1.5073    0   8   2         4
                62.10          3.96        1.4946   -2   4   4         4
                62.11          2.27        1.4944    2   7   2         4
                62.19          3.97        1.4928    1   1   4         4
                62.34          1.69        1.4894   -4   2   4         4
                62.35          4.39        1.4892   -6   3   1         4
                62.77          7.50        1.4804    4   4   2         4
                62.94          1.28        1.4768    6   2   0         4
                63.17          1.27        1.4719    2   5   3         4
                63.24          2.85        1.4704   -5   4   3         4
                63.25          5.36        1.4702    5   4   1         4
                63.41          1.02        1.4668    1   2   4         4
                63.47          1.81        1.4656   -6   3   2         4
                63.75          3.43        1.4600   -3   4   4         4
                63.98          1.39        1.4553   -2   7   3         4
                64.69          4.51        1.4410    2   9   0         4
                64.75          2.22        1.4397    0   7   3         4
                65.36          1.72        1.4277   -3   8   2         4
                65.75          1.88        1.4202   -2   5   4         4
                66.44          1.55        1.4072    5   1   2         4
                67.62          3.17        1.3854    5   2   2         4
                67.81          4.42        1.3820   -1   9   2         4
                67.97          1.01        1.3792    0   5   4         4
                69.82          1.98        1.3470   -6   5   2         4
                70.17          3.50        1.3411   -4   8   2         4
                70.40          1.25        1.3374    0  10   1         4
                70.66          1.29        1.3332    0   8   3         4
                71.09          2.64        1.3262    6   3   1         4
                73.06          1.21        1.2951    3   9   1         4
                73.27          1.34        1.2919   -6   1   4         4
                74.88          1.42        1.2681   -4   6   4         4
                75.67          1.15        1.2568   -5   5   4         4
                76.18          2.02        1.2496    3   2   4         4
                76.29          1.10        1.2481   -6   3   4         4
                77.47          1.30        1.2320   -4   3   5         4
                77.57          1.86        1.2307   -3   4   5         4
                78.26          1.09        1.2216    2   8   3         4
                78.57          1.50        1.2176   -3   9   3         4
                79.77          1.38        1.2022   -5   6   4         4
                79.99          2.52        1.1994    1   2   5         4
                80.70          2.43        1.1907    1   7   4         4
                80.82          1.28        1.1892   -1   8   4         4
                81.16          1.51        1.1851   -5   9   1         4
                81.31          2.49        1.1833   -4  10   1         4
                82.11          1.20        1.1738   -3   8   4         4
                83.06          1.07        1.1628   -8   2   2         4
                83.29          1.48        1.1601   -6   7   3         4
                84.12          1.61        1.1508    0  10   3         4
                84.49          2.53        1.1467   -7   3   4         4
                84.56          1.76        1.1459    5   7   2         4
                85.23          1.78        1.1386   -8   3   1         4
                85.24          1.33        1.1385   -4   8   4         4
                85.95          2.81        1.1309    1  12   0         4
                86.26          1.33        1.1276    6   5   2         4
                86.80          1.11        1.1220    0  12   1         4
                86.96          1.28        1.1204    1  10   3         4
                87.24          1.18        1.1175    3  10   2         4
                87.50          2.13        1.1149   -5   5   5         4
                87.68          2.60        1.1130    2   3   5         4
                87.88          1.77        1.1110    5   9   1         4
                87.89          1.87        1.1108   -8   3   3         4
                88.89          1.20        1.1010   -2   7   5         4
                89.15          3.15        1.0985    4   4   4         4
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.