Wangdaodeite
      Tschauner O, Ma C, Newville M G, Lanzirotti A
      Minerals 10 (2020) 1072
      Structure analysis of natural wangdaodeite - LiNbO3-type FeTiO3
      Locality: Ries impact structure, Germany
      _database_code_amcsd 0020928

      CELL PARAMETERS:   5.1158  5.1158 13.7805   90.000   90.000  120.000
      SPACE GROUP: R-3       

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Fe     0.00000   0.00000   0.28400     0.920     1.184
            Mn     0.00000   0.00000   0.28400     0.080     1.184
            Ti     0.00000   0.00000   0.00120     1.000     2.369
            O      0.31490   0.02500   0.24400     1.000     0.237

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  4 +/- 12
            MAX. ABS. INTENSITY / VOLUME**2:      49.84047985    
            The INTENSITY cut off value is   0.01

               2-THETA      INTENSITY    D-SPACING   H   K   L
                19.32         89.91        4.5935    0   0   3
                21.06         55.93        4.2178    1   0   1
                23.88          4.62        3.7265    0   1   2
                32.93         88.52        2.7196    1   0   4
                35.08         57.87        2.5579    1   1   0
                38.47          0.59        2.3402    0   1   5
                39.22          1.02        2.2968    0   0   6
                40.36         10.07        2.2348    2  -1   3
                40.36         89.93        2.2348    1   1   3
                41.28          2.68        2.1871    0   2   1
                48.88         16.64        1.8633    0   2   4
                50.75         25.40        1.7990    1   0   7
                53.04          0.01        1.7266    2   0   5
                53.63          6.96        1.7089    2  -1   6
                53.63          3.30        1.7089    1   1   6
                55.26          0.59        1.6623    2   1   1
                55.26          3.69        1.6623    3  -1   1
                56.56          0.44        1.6272   -1   3   2
                57.39          2.68        1.6055    0   1   8
                61.58          5.82        1.5061    3  -1   4
                61.58          9.71        1.5061    2   1   4
                62.94         23.17        1.4768    3   0   0
                63.19         14.46        1.4715    0   2   7
                65.19          0.77        1.4311    1   2   5
                66.51          5.08        1.4059    0   3   3
                66.51          4.81        1.4059    3   0   3
                69.07          0.34        1.3598    2   0   8
                71.73          3.29        1.3159    1   0  10
                71.86          0.09        1.3138    2  -1   9
                71.86          2.47        1.3138    1   1   9
                74.14          4.18        1.2789    2   2   0
                74.37          4.88        1.2755    3  -1   7
                74.37          7.43        1.2755    2   1   7
                76.72          0.13        1.2422    0   3   6
                76.72          0.13        1.2422    3   0   6
                77.47          6.19        1.2321    4  -2   3
                77.47          1.11        1.2321    2   2   3
                78.08          0.32        1.2239   -1   4   1
                78.08          1.00        1.2239    1   3   1
                79.18          0.79        1.2097    3   1   2
                79.18          0.12        1.2097    4  -1   2
                79.51          3.25        1.2055    0   1  11
                79.89          0.27        1.2007    1   2   8
                79.89          0.45        1.2007   -1   3   8
                82.42          2.45        1.1701    0   2  10
                83.53          4.22        1.1574   -1   4   4
                83.53          2.17        1.1574    1   3   4
                84.34          0.11        1.1484    0   0  12
                86.77          0.40        1.1223    4  -1   5
                86.77          0.03        1.1223    3   1   5
                87.25          0.33        1.1174    4  -2   6
                87.25          0.70        1.1174    2   2   6
                88.58          0.34        1.1040    4   0   1
                89.65          0.46        1.0936    0   4   2
                89.98          1.85        1.0905    2   0  11
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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.