Kotoite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R060940
      Effenberger H, Pertlik F
      Zeitschrift fur Kristallographie 166 (1984) 129-140
      Verfeinerung der kristallstrukturen der isotypen verbindungen
      M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
      Locality: synthetic

      CELL PARAMETERS:   5.3930  8.4180  4.5040   90.000   90.000   90.000
      SPACE GROUP: Pnmn      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Mg     0.00000   0.00000   0.00000     1.000     0.500
            Mg     0.00000   0.31280   0.50000     1.000     0.460
            B      0.25460   0.00000   0.54530     1.000     0.420
            O      0.32220   0.00000   0.25020     1.000     0.410
            O      0.20450   0.13870   0.70290     1.000     0.480

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  7 +/-  4
            MAX. ABS. INTENSITY / VOLUME**2:      7.579229609    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                21.11         22.45        4.2090    0   2   0
                22.39          7.17        3.9713    0   1   1
                25.77         24.70        3.4570    1   0   1
                27.90          9.06        3.1978    1   1   1
                33.22          1.85        2.6965    2   0   0
                33.55        100.00        2.6714    1   2   1
                36.08         18.05        2.4892    1   3   0
                37.77          3.73        2.3816    0   3   1
                38.93         28.03        2.3136    2   0   1
                39.70         10.15        2.2705    2   2   0
                40.43         71.28        2.2308    2   1   1
                41.45         74.86        2.1786    1   3   1
                43.55          9.80        2.0781    1   0   2
                44.70          3.72        2.0275    2   2   1
                44.93          1.01        2.0175    1   1   2
                45.69          2.08        1.9856    0   2   2
                50.79          6.86        1.7976    1   4   1
                51.17          3.07        1.7851    2   3   1
                52.98         47.30        1.7285    2   0   2
                54.98         51.55        1.6700    1   3   2
                55.38          4.01        1.6590    2   4   0
                56.16          2.15        1.6377    3   1   1
                57.33          3.78        1.6071    1   5   0
                58.53          9.53        1.5770    0   5   1
                59.57         14.40        1.5520    3   2   1
                60.18          5.41        1.5376    0   4   2
                61.23         35.31        1.5137    3   3   0
                61.24          5.43        1.5136    1   5   1
                62.85          1.34        1.4787    1   4   2
                62.88          6.92        1.4780    0   1   3
                65.00          2.81        1.4348    3   3   1
                66.66         11.59        1.4030    0   6   0
                68.61          9.23        1.3678    1   2   3
                68.99         16.74        1.3613    2   5   1
                69.75          6.74        1.3483    4   0   0
                71.23          4.76        1.3238    0   3   3
                71.99          1.57        1.3117    2   0   3
                73.00          2.27        1.2961    2   1   3
                73.29          4.72        1.2916    4   0   1
                73.69          7.10        1.2856    1   3   3
                74.29          1.54        1.2767    4   1   1
                79.97          1.55        1.1996    2   6   1
                82.11          1.53        1.1737    1   7   0
                82.15          1.32        1.1733    4   3   1
                83.58          4.05        1.1568    4   0   2
                83.98          1.98        1.1523    3   0   3
                86.42          4.74        1.1260    0   0   4
                86.94          1.49        1.1205    0   5   3
                87.84          4.96        1.1114    3   2   3
                89.29          2.05        1.0971    1   5   3
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.