Natrojarosite
      Diffraction data computed using the structure from the paper listed below,
      along with the cell parameters refined from single crystal data of R080062
      Basciano L C, Peterson R C
      American Mineralogist 93 (2008) 853-862
      Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
      jarosite solid-solution: A synthetic study with full Fe site occupancy
      Locality: synthetic
      Sample: O

      CELL PARAMETERS:   7.3160  7.3160 16.6280   90.000   90.000  120.000
      SPACE GROUP: R-3m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Na     0.00000   0.00000   0.00000     0.850     3.400
            K      0.00000   0.00000   0.00000     0.110     3.400
            Fe     0.16667  -0.16667  -0.16667     1.000     1.620
            S      0.00000   0.00000   0.31210     1.000     1.200
            O      0.00000   0.00000   0.40080     1.000     1.400
            O      0.22290  -0.22290  -0.05100     1.000     1.500
            O      0.12570  -0.12570   0.13050     1.000     0.400
            H      0.16200  -0.16200   0.16900     1.000     2.000

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/- 15
            MAX. ABS. INTENSITY / VOLUME**2:      18.30598669    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                14.96         20.99        5.9206    1   0   1
                15.99         33.14        5.5427    0   0   3
                17.60         81.39        5.0393    0   1   2
                24.33          7.57        3.6580    1   1   0
                25.63          8.58        3.4757    1   0   4
                28.69         90.68        3.1119    0   2   1
                29.25        100.00        3.0530    1   1   3
                30.19         11.57        2.9603    2   0   2
                30.35          2.81        2.9446    0   1   5
                32.30         19.63        2.7713    0   0   6
                35.63         19.44        2.5197    0   2   4
                39.15          1.30        2.3012    1   2   2
                39.28          2.43        2.2938    2   0   5
                40.56         30.18        2.2242    1   0   7
                45.95          1.30        1.9749    0   1   8
                45.99         31.71        1.9735    0   3   3
                46.74          1.13        1.9433    1   2   5
                47.86         12.45        1.9005    0   2   7
                49.32          4.39        1.8476    0   0   9
                49.86         33.96        1.8290    2   2   0
                52.67          4.70        1.7378    2   0   8
                52.70          6.99        1.7369    2   2   3
                53.28          5.53        1.7193    3   1   2
                54.40          2.40        1.6865    2   1   7
                55.74          2.30        1.6491    1   1   9
                56.89          4.62        1.6186    1   3   4
                58.54          5.22        1.5768    4   0   1
                58.83          7.30        1.5697    1   2   8
                59.40          6.35        1.5560    0   4   2
                59.50          3.73        1.5537    3   1   5
                60.66         15.49        1.5265    2   2   6
                62.78          5.54        1.4802    4   0   4
                63.15         17.19        1.4723    0   2  10
                64.33          1.52        1.4480    3   2   1
                65.15          3.25        1.4318    2   3   2
                65.24          2.92        1.4300    0   4   5
                66.15          1.63        1.4127    1   3   7
                67.34          3.29        1.3906    0   3   9
                68.37          1.74        1.3721    3   2   4
                68.81          4.32        1.3643    2   0  11
                70.15          2.79        1.3415    1   4   3
                70.15          4.64        1.3415    4   1   3
                71.60          2.43        1.3178    4   0   7
                72.75          2.74        1.2998    2   2   9
                76.89          5.39        1.2398    3   2   7
                80.41          1.09        1.1943    2   4   1
                84.47          2.25        1.1469    4   0  10
                86.20          2.56        1.1282    2   1  13
                86.36          1.62        1.1266    4   2   5
                88.53          1.99        1.1045    2   2  12
                89.65          2.26        1.0936    0   4  11
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.