Tripuhyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070383 Basso R, Cabella R, Lucchetti G, Marescotti P, Martinelli A Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 407-420 Structural studies on synthetic and natural Fe-Sb-oxides of MO2 type Locality: Djebel Nador, Algeria Sample: case 2 refinement, not acceptable structure model CELL PARAMETERS: 4.6340 4.6340 9.2090 90.000 90.000 90.000 SPACE GROUP: P4_2/mnm ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.00000 0.33550 0.250 0.700 Sb 0.00000 0.00000 0.33550 0.750 1.000 Fe 0.00000 0.00000 0.00000 1.000 0.700 O 0.23460 0.23460 0.00000 1.000 1.000 O 0.38800 0.38800 0.39540 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 168.1047038 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 27.22 100.00 3.2767 1 1 0 33.57 1.06 2.6697 1 1 2 35.06 65.52 2.5591 1 0 3 38.87 23.32 2.3170 2 0 0 39.13 1.16 2.3022 0 0 4 40.26 1.19 2.2402 1 1 3 43.74 2.47 2.0697 2 0 2 44.83 2.00 2.0218 2 1 1 48.31 2.80 1.8838 1 1 4 53.34 38.07 1.7176 2 1 3 53.54 1.47 1.7116 1 0 5 56.14 10.15 1.6384 2 2 0 56.34 1.90 1.6331 2 0 4 60.30 2.98 1.5348 0 0 6 60.80 1.08 1.5234 3 0 1 63.48 9.19 1.4654 3 1 0 67.37 7.46 1.3899 1 1 6 67.93 8.69 1.3798 3 0 3 74.10 4.99 1.2796 2 0 6 81.13 9.95 1.1855 3 2 3 83.43 1.82 1.1585 4 0 0 86.98 4.43 1.1201 2 2 6 89.79 1.95 1.0922 3 3 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.