Tuite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R120115
      Sugiyama K, Tokonami M
      Physics and Chemistry of Minerals 15 (1987) 125-130
      Structure and crystal chemistry of a dense polymorph of
      tricalcium phosphate Ca3(PO4)2: a host to accommodate
      large lithophile elements in the Earth's mantle
      _database_code_amcsd 0007447

      CELL PARAMETERS:   5.2557  5.2557 18.7040   90.000   90.000  120.000
      SPACE GROUP: R-3m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ca     0.00000   0.00000   0.00000     1.000     1.240
            Ca     0.00000   0.00000   0.20360     1.000     1.040
            P      0.00000   0.00000   0.40520     1.000     0.710
            O      0.00000   0.00000   0.32350     1.000     1.380
            O     -0.15910   0.15910   0.43270     1.000     1.070

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  4 +/- 17
            MAX. ABS. INTENSITY / VOLUME**2:      21.70704835    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                20.08          1.89        4.4225    1   0   1
                28.64          4.40        3.1173    0   0   6
                30.94         86.26        2.8900    0   1   5
                34.12        100.00        2.6279    1   1   0
                37.13          4.39        2.4215    1   1   3
                40.81         22.51        2.2113    2   0   2
                43.52          5.62        2.0797    0   1   8
                43.55          9.30        2.0782    0   0   9
                44.26         14.12        2.0463    0   2   4
                45.13          6.70        2.0092    1   1   6
                46.72         44.13        1.9443    2   0   5
                52.84          2.42        1.7325    0   2   7
                52.93         25.19        1.7300    1   0  10
                56.45          2.14        1.6301    1   1   9
                59.11         18.02        1.5630    1   2   5
                61.08         13.50        1.5172    3   0   0
                64.49          6.38        1.4450    0   2  10
                67.61          1.14        1.3856    1   2   8
                68.94          3.14        1.3621    2   0  11
                71.85         17.96        1.3139    2   2   0
                75.01         15.80        1.2662    2   1  10
                80.26          7.85        1.1961    3   1   5
                86.36         10.80        1.1265    1   1  15
                87.92          2.78        1.1106    2   2   9
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.