Perhamite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110142 Mills S, Mumme G, Grey I, Bordet P Mineralogical Magazine 70 (2006) 201-209 The crystal structure of perhamite Note: H positions unknown Locality: Emmons mine, Greenwood, Maine _database_code_amcsd 0014576 CELL PARAMETERS: 6.9850 6.9850 20.1620 90.000 90.000 120.000 SPACE GROUP: P-3m1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 0.700 1.184 Sr 0.00000 0.00000 0.00000 0.300 1.184 Ca 0.33333 0.66667 0.74460 1.000 1.524 P 0.33333 0.66667 0.98290 1.000 0.671 P 0.00000 0.00000 0.24700 1.000 0.695 Al 0.16570 0.33140 0.86930 1.000 0.647 Al 0.00000 0.00000 0.40710 0.850 1.548 Si 0.00000 0.00000 0.40710 0.150 1.548 Si 0.15730 0.75080 0.49910 0.225 1.579 O 0.42880 0.21440 0.04350 1.000 0.869 O 0.33333 0.66667 0.05800 1.000 0.947 O 0.12620 0.25240 0.10850 1.000 0.711 O 0.91370 0.45690 0.15910 1.000 0.790 O 0.23940 0.11970 0.22310 1.000 0.869 O 0.00000 0.00000 0.32310 1.000 1.658 O 0.26900 0.13500 0.43570 0.500 3.711 O 0.13400 0.26800 0.43390 0.500 4.737 O 0.50000 0.00000 0.50000 0.234 17.371 O 0.33333 0.66667 0.49600 0.080 6.317 Wa 0.33333 0.66667 0.23660 1.000 4.422 Wa 0.96900 0.48470 0.33510 0.500 2.921 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 18 MAX. ABS. INTENSITY / VOLUME**2: 6.191690618 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.77 6.92 10.0810 0 0 2 13.17 13.54 6.7207 0 0 3 14.64 90.91 6.0492 1 0 0 15.29 81.40 5.7940 0 1 1 15.29 18.60 5.7940 1 0 1 17.09 2.59 5.1870 0 1 2 17.09 12.06 5.1870 1 0 2 17.60 3.10 5.0405 0 0 4 19.75 3.79 4.4961 0 1 3 19.75 1.12 4.4961 1 0 3 22.97 2.01 3.8724 0 1 4 25.50 40.55 3.4925 1 1 0 25.89 11.46 3.4413 1 1 1 26.57 2.77 3.3553 0 1 5 26.57 6.58 3.3553 1 0 5 27.02 3.77 3.3001 1 1 2 28.81 46.07 3.0990 1 1 3 29.87 27.20 2.9911 0 2 1 30.43 10.28 2.9375 0 1 6 30.43 12.57 2.9375 1 0 6 30.87 27.15 2.8970 0 2 2 31.05 3.37 2.8803 0 0 7 31.16 84.45 2.8707 1 1 4 32.46 5.47 2.7581 0 2 3 32.46 32.76 2.7581 2 0 3 33.96 22.49 2.6400 1 1 5 34.49 1.11 2.6005 0 1 7 34.49 8.10 2.6005 1 0 7 34.59 7.57 2.5935 2 0 4 35.62 6.89 2.5203 0 0 8 37.13 11.11 2.4215 1 1 6 37.16 1.80 2.4196 0 2 5 37.16 1.17 2.4196 2 0 5 38.70 1.32 2.3264 0 1 8 38.70 9.61 2.3264 1 0 8 40.11 8.95 2.2481 0 2 6 40.11 12.31 2.2481 2 0 6 40.26 6.30 2.2402 0 0 9 40.45 9.67 2.2297 1 2 2 40.45 2.88 2.2297 2 1 2 40.60 1.17 2.2221 1 1 7 41.73 7.99 2.1645 1 2 3 43.06 23.13 2.1008 1 0 9 43.46 3.43 2.0822 1 2 4 44.32 7.73 2.0437 1 1 8 44.96 2.50 2.0162 0 0 10 45.19 1.21 2.0064 0 3 1 45.19 3.00 2.0064 3 0 1 45.61 2.15 1.9889 1 2 5 45.61 6.09 1.9889 2 1 5 45.90 1.86 1.9772 3 0 2 47.05 17.88 1.9313 0 3 3 47.05 1.19 1.9313 3 0 3 47.54 6.04 1.9128 1 0 10 48.63 25.79 1.8722 0 3 4 48.63 1.45 1.8722 3 0 4 49.74 5.60 1.8329 0 0 11 50.61 6.01 1.8035 0 3 5 51.00 2.24 1.7908 1 2 7 52.40 53.69 1.7463 2 2 0 52.61 2.84 1.7397 2 2 1 52.96 1.35 1.7290 0 3 6 52.96 1.16 1.7290 3 0 6 54.16 2.27 1.6934 2 1 8 54.62 1.24 1.6802 0 0 12 54.71 1.11 1.6777 3 1 0 54.71 2.52 1.6776 2 0 10 54.71 2.13 1.6776 0 2 10 55.64 1.06 1.6518 3 0 7 57.60 4.88 1.6001 1 2 9 57.93 1.15 1.5919 3 1 4 58.63 2.51 1.5745 0 3 8 59.69 2.30 1.5490 3 1 5 61.22 6.66 1.5141 1 1 12 61.30 3.04 1.5122 2 1 10 61.49 1.53 1.5081 4 0 1 61.81 1.73 1.5011 1 3 6 61.81 1.32 1.5011 3 1 6 62.06 1.08 1.4956 0 4 2 62.06 1.54 1.4956 4 0 2 62.16 4.24 1.4932 2 2 7 63.00 7.27 1.4754 0 4 3 63.32 15.39 1.4688 0 2 12 64.25 3.63 1.4497 3 1 7 64.97 7.19 1.4354 2 2 8 65.24 2.43 1.4301 1 2 11 65.90 1.11 1.4174 1 1 13 65.97 2.56 1.4160 4 0 5 67.01 1.36 1.3966 1 3 8 67.49 2.56 1.3878 3 2 0 67.67 1.56 1.3845 3 2 1 67.67 2.25 1.3845 2 3 1 67.92 1.31 1.3801 2 0 13 67.92 8.59 1.3801 0 2 13 67.98 1.89 1.3791 4 0 6 68.08 3.86 1.3773 2 2 9 69.28 2.27 1.3563 0 3 11 70.07 1.95 1.3429 1 3 9 70.76 1.09 1.3314 1 1 14 71.47 4.81 1.3200 4 1 0 71.47 1.23 1.3200 2 2 10 72.72 1.25 1.3003 2 0 14 73.05 1.92 1.2953 4 1 3 73.35 4.01 1.2908 0 3 12 73.89 2.07 1.2827 3 2 6 73.89 1.61 1.2827 2 3 6 74.27 5.69 1.2770 4 1 4 74.27 3.29 1.2770 1 4 4 75.14 2.35 1.2643 2 2 11 75.83 1.78 1.2545 4 1 5 76.14 1.48 1.2502 3 2 7 78.71 1.69 1.2157 3 2 8 79.10 1.22 1.2107 2 2 12 80.99 2.16 1.1872 1 3 12 81.61 7.16 1.1798 3 2 9 82.27 1.07 1.1719 0 3 14 82.49 1.01 1.1694 4 1 8 82.94 1.89 1.1642 3 3 0 84.81 1.41 1.1432 3 2 10 85.21 1.70 1.1389 1 3 13 86.61 2.58 1.1240 4 0 12 87.15 1.64 1.1184 3 0 15 88.62 2.15 1.1036 2 1 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.