Maxwellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060955 Cooper M A, Hawthorne F C Neues Jahrbuch fur Mineralogie, Monatshefte 1995 (1995) 97-104 The crystal structure of maxwellite Locality: Squaw Creek, Catron County, New Mexico, USA CELL PARAMETERS: 6.6700 8.7890 7.1280 90.000 114.390 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.67030 0.25000 0.540 1.460 Ca 0.00000 0.67030 0.25000 0.370 1.460 Fe 0.00000 0.00000 0.00000 0.402 0.909 Al 0.00000 0.00000 0.00000 0.233 0.909 Ti 0.00000 0.00000 0.00000 0.140 0.909 Mg 0.00000 0.00000 0.00000 0.226 0.909 As 0.00000 0.31720 0.25000 1.000 0.663 O 0.18830 0.43430 0.41760 1.000 1.378 O 0.10690 0.20940 0.11780 1.000 1.166 F 0.00000 0.92740 0.25000 0.740 1.218 OH 0.00000 0.92740 0.25000 0.260 1.218 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 17.58864558 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.75 3.47 4.9973 1 1 0 18.36 80.43 4.8320 -1 1 1 20.21 3.95 4.3945 0 2 0 24.46 36.11 3.6391 0 2 1 25.93 46.35 3.4357 1 1 1 27.21 98.99 3.2779 -1 1 2 27.48 20.22 3.2459 0 0 2 29.41 100.00 3.0374 2 0 0 30.92 25.35 2.8923 -2 0 2 33.78 24.70 2.6535 -2 2 1 33.97 93.14 2.6388 1 3 0 34.35 63.97 2.6109 0 2 2 35.94 6.14 2.4986 2 2 0 37.22 10.66 2.4160 -2 2 2 37.83 6.07 2.3780 1 1 2 39.09 24.88 2.3046 1 3 1 39.98 19.00 2.2551 -1 3 2 41.08 1.56 2.1972 0 4 0 43.01 19.16 2.1031 -3 1 2 45.16 14.23 2.0077 -2 2 3 45.99 2.62 1.9732 3 1 0 46.79 3.44 1.9413 0 2 3 48.19 7.66 1.8885 1 3 2 48.32 4.13 1.8834 -3 1 3 48.79 9.91 1.8664 2 0 2 49.45 1.44 1.8432 -1 3 3 49.72 3.58 1.8338 -2 4 1 50.13 7.77 1.8196 0 4 2 51.40 1.53 1.7777 1 1 3 51.75 18.93 1.7664 -2 0 4 51.82 2.45 1.7642 -3 3 1 52.29 10.45 1.7496 -2 4 2 52.54 9.44 1.7417 -3 3 2 53.08 1.41 1.7254 -1 1 4 53.33 22.61 1.7179 2 2 2 53.71 3.63 1.7065 3 1 1 54.33 1.00 1.6885 1 5 0 55.14 33.73 1.6658 3 3 0 55.18 1.42 1.6645 -4 0 2 56.72 8.83 1.6230 0 0 4 56.84 2.39 1.6198 2 4 1 57.99 1.60 1.5903 1 5 1 58.64 1.66 1.5744 -2 4 3 58.66 21.69 1.5737 -1 5 2 59.38 11.01 1.5566 -4 2 2 59.95 1.63 1.5431 1 3 3 60.00 6.81 1.5418 0 4 3 60.37 1.99 1.5334 -4 2 1 61.01 8.68 1.5187 4 0 0 61.47 24.05 1.5084 -1 3 4 62.05 1.84 1.4958 3 3 1 62.10 1.70 1.4947 -4 2 3 63.51 3.72 1.4648 0 6 0 64.37 5.35 1.4473 3 1 2 64.43 15.84 1.4462 -4 0 4 65.13 12.56 1.4322 1 5 2 65.22 11.86 1.4304 -3 3 4 65.30 1.08 1.4289 0 6 1 65.63 1.85 1.4225 2 4 2 66.02 2.36 1.4151 2 2 3 66.17 1.57 1.4121 -1 5 3 68.17 1.92 1.3756 -3 5 1 68.18 1.12 1.3755 -1 1 5 68.71 2.74 1.3660 -3 1 5 68.78 13.73 1.3649 -3 5 2 70.20 2.39 1.3408 -2 6 1 70.53 1.19 1.3352 0 6 2 71.01 2.80 1.3274 3 5 0 71.05 2.33 1.3268 -4 4 2 71.51 8.86 1.3194 2 6 0 71.61 1.52 1.3177 -5 1 2 71.95 3.54 1.3123 -4 4 1 72.61 1.71 1.3021 -5 1 3 72.82 2.34 1.2988 4 2 1 73.83 11.03 1.2835 1 3 4 75.60 1.09 1.2578 -1 3 5 76.12 1.29 1.2505 -3 3 5 76.51 1.81 1.2452 0 2 5 76.62 2.48 1.2436 -1 5 4 77.25 5.83 1.2351 2 0 4 77.48 2.26 1.2320 3 1 3 77.53 1.25 1.2312 -4 2 5 77.72 2.25 1.2287 -2 6 3 77.85 1.64 1.2270 -1 7 1 78.91 1.59 1.2132 -5 3 2 78.92 1.06 1.2130 0 6 3 79.87 1.73 1.2009 -5 3 3 80.06 2.11 1.1986 4 0 2 80.28 1.07 1.1958 -2 4 5 80.75 1.29 1.1901 1 7 1 83.62 2.92 1.1564 4 2 2 84.10 5.25 1.1510 -5 3 4 84.46 1.21 1.1470 -5 1 5 86.27 4.30 1.1276 -2 6 4 86.37 3.13 1.1264 3 5 2 86.77 6.48 1.1223 5 3 0 87.07 1.61 1.1193 1 7 2 88.15 1.15 1.1083 1 5 4 89.13 1.22 1.0986 0 8 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.