Keystoneite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070661 Miletich F European Journal of Mineralogy 7 (1995) 509-523 Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample moc6 Locality: Moctezuma Mine, Moctezuma, Sonora, Mexico CELL PARAMETERS: 9.3630 9.3630 7.6150 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Te 0.49643 0.45580 0.25000 1.000 1.034 Fe 0.33333 0.66667 0.05958 0.550 1.129 Zn 0.33333 0.66667 0.05958 0.410 1.129 Mn 0.33333 0.66667 0.05958 0.040 1.129 Mg 0.00000 0.00000 0.17100 0.225 1.595 O 0.16140 0.50510 0.25000 1.000 1.074 O 0.49080 0.14210 0.07040 1.000 1.761 Wa 0.06180 0.18890 0.15990 0.350 4.856 Wa 0.19840 0.12660 0.01610 0.330 5.251 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 73.12215494 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.91 100.00 8.1086 1 0 0 18.96 3.77 4.6815 1 1 0 21.92 63.68 4.0543 2 0 0 22.29 1.47 3.9881 1 1 1 23.36 12.13 3.8075 0 0 2 24.88 1.21 3.5787 2 0 1 25.85 5.98 3.4465 1 0 2 29.14 8.76 3.0648 1 2 0 29.14 10.47 3.0648 2 1 0 30.26 22.73 2.9539 1 1 2 31.47 7.45 2.8431 1 2 1 31.47 26.30 2.8431 2 1 1 32.25 76.00 2.7755 2 0 2 35.23 8.85 2.5472 3 0 1 37.11 2.53 2.4224 1 0 3 37.68 6.32 2.3874 2 1 2 38.46 15.77 2.3407 2 2 0 40.09 1.85 2.2489 1 3 0 40.09 1.64 2.2489 3 1 0 40.31 1.33 2.2374 2 2 1 40.42 2.06 2.2314 1 1 3 40.95 9.56 2.2040 3 0 2 41.89 6.64 2.1568 1 3 1 41.89 2.15 2.1568 3 1 1 41.99 2.56 2.1515 2 0 3 44.70 1.92 2.0271 4 0 0 45.49 6.72 1.9941 2 2 2 46.45 2.27 1.9549 1 2 3 46.92 1.60 1.9364 1 3 2 46.92 1.01 1.9364 3 1 2 47.78 4.39 1.9037 0 0 4 48.97 2.22 1.8602 2 3 0 49.16 2.70 1.8534 1 0 4 49.25 2.92 1.8503 3 0 3 50.50 5.99 1.8071 2 3 1 50.50 1.48 1.8071 3 2 1 51.04 11.89 1.7893 4 0 2 51.66 2.86 1.7694 1 4 0 51.84 1.14 1.7635 1 1 4 53.14 9.82 1.7235 4 1 1 53.15 11.65 1.7232 2 0 4 54.51 8.61 1.6833 1 3 3 56.77 1.89 1.6217 5 0 0 56.94 2.77 1.6172 2 1 4 57.43 5.87 1.6046 4 1 2 58.16 5.48 1.5861 5 0 1 59.38 1.17 1.5564 3 0 4 60.57 1.61 1.5287 3 3 1 61.83 10.11 1.5004 2 3 3 61.83 3.93 1.5004 3 2 3 62.93 4.30 1.4769 2 2 4 64.16 4.41 1.4516 4 1 3 65.22 4.29 1.4304 1 5 1 65.68 2.28 1.4216 2 4 2 65.68 2.41 1.4216 4 2 2 67.49 2.59 1.3877 4 0 4 68.68 1.89 1.3666 5 0 3 68.84 1.53 1.3639 1 2 5 68.84 2.73 1.3639 2 1 5 69.05 1.02 1.3602 5 1 2 69.56 2.41 1.3514 6 0 0 71.04 1.56 1.3269 3 0 5 71.90 5.15 1.3131 4 3 1 74.07 2.57 1.2799 2 5 1 74.07 1.19 1.2799 5 2 1 74.81 1.37 1.2692 0 0 6 75.22 1.17 1.2632 1 5 3 75.37 1.41 1.2610 3 1 5 75.88 1.62 1.2539 1 0 6 77.14 1.06 1.2365 6 1 0 77.70 1.54 1.2289 2 5 2 78.34 1.64 1.2206 6 1 1 79.06 2.59 1.2112 2 0 6 81.91 1.02 1.1761 1 6 2 83.66 2.36 1.1560 2 5 3 83.81 1.82 1.1543 4 1 5 87.41 1.97 1.1157 2 2 6 87.81 2.51 1.1117 6 1 3 87.96 2.00 1.1102 5 0 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.