Roquesite
      Abrahams S C, Bernstein J L
      Journal of Chemical Physics 59 (1973) 5415-5420
      Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure:
      Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites
      Note: Synthetic sample
      _database_code_amcsd 0013005

      CELL PARAMETERS:    5.5228   5.5228  11.1329   90.000   90.000   90.000
      SPACE GROUP: I-42d     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    339.568
      Density (g/cm3):      4.743
      MAX. ABS. INTENSITY / VOLUME**2:      169.6563197    
      RIR:     11.648
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.93          6.51        4.9475    1   0   1         8
                27.91        100.00        3.1969    1   1   2         4
                28.99          3.45        3.0802    1   0   3         8
                32.16          6.09        2.7832    0   0   4         2
                32.42         12.14        2.7614    2   0   0         4
                37.29          3.62        2.4112    2   1   1         8
                43.84          1.08        2.0651    1   0   5         8
                44.04          1.44        2.0561    2   1   3         8
                46.32         34.86        1.9603    2   0   4         8
                46.51         17.04        1.9526    2   2   0         4
                50.23          1.02        1.8163    3   0   1         8
                54.77         12.16        1.6759    1   1   6         4
                55.11         23.62        1.6664    3   1   2         8
                57.67          4.06        1.5985    2   2   4         4
                67.28          2.33        1.3916    0   0   8         2
                67.88          4.36        1.3807    4   0   0         4
                74.63          7.84        1.2717    3   1   6         8
                74.92          3.84        1.2675    3   3   2         4
                76.68          1.35        1.2427    2   0   8         8
                77.11          1.40        1.2369    4   0   4         8
                77.26          1.41        1.2349    4   2   0         8
                85.73          4.04        1.1333    2   2   8         4
                86.15          7.77        1.1288    4   2   4         8
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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.