Legrandite Jinnouchi S, Yoshiasa A, Sugiyama K, Shimura R, Arima H, Momma H, Miyawaki R Journal of Mineralogical and Petrological Sciences 111 (2016) 35-43 Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Locality: Ojuela Mine, Mapimi, Durango, Mexico _database_code_amcsd 0020671 CELL PARAMETERS: 12.8014 7.9390 10.2262 90.000 104.490 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1006.233 Density (g/cm3): 4.023 MAX. ABS. INTENSITY / VOLUME**2: 14.87755149 RIR: 1.204 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.13 28.55 12.3942 1 0 0 2 13.24 59.59 6.6851 1 1 0 4 14.96 78.30 5.9236 -1 1 1 4 16.98 1.09 5.2232 1 1 1 4 17.55 13.89 5.0534 -1 0 2 2 17.92 2.87 4.9505 0 0 2 2 18.16 7.31 4.8850 2 1 0 4 20.92 1.34 4.2459 1 0 2 2 21.15 68.42 4.2007 0 1 2 4 21.51 32.04 4.1314 3 0 0 2 21.82 100.00 4.0736 2 1 1 4 22.92 1.63 3.8808 -2 1 2 4 23.53 17.80 3.7804 1 2 0 4 23.76 3.14 3.7441 1 1 2 4 24.16 2.90 3.6844 0 2 1 4 24.29 1.74 3.6649 3 1 0 4 24.36 15.59 3.6533 -3 0 2 2 24.56 18.45 3.6251 -1 2 1 4 25.86 18.29 3.4451 1 2 1 4 26.86 1.49 3.3188 -3 1 2 4 26.98 19.28 3.3050 -2 2 1 4 27.77 3.60 3.2127 3 1 1 4 28.50 7.14 3.1319 -1 1 3 4 28.60 6.19 3.1216 -1 2 2 4 28.81 16.99 3.0986 4 0 0 2 28.83 73.53 3.0969 0 2 2 4 29.31 5.57 3.0475 0 1 3 4 29.33 9.18 3.0449 2 2 1 4 29.52 57.98 3.0255 -2 1 3 4 29.95 40.92 2.9836 -4 0 2 2 30.17 17.66 2.9618 -2 2 2 4 30.84 4.84 2.8997 1 2 2 4 30.98 3.59 2.8865 4 1 0 4 31.25 20.35 2.8624 3 2 0 4 31.82 1.80 2.8125 1 1 3 4 32.05 5.97 2.7929 -4 1 2 4 32.22 31.62 2.7782 -3 1 3 4 33.50 44.50 2.6752 3 1 2 4 34.08 43.31 2.6308 3 2 1 4 34.33 19.53 2.6123 4 1 1 4 34.34 28.41 2.6116 2 2 2 4 34.66 9.07 2.5880 1 3 0 4 34.69 11.80 2.5859 -1 2 3 4 35.10 12.85 2.5566 0 3 1 4 35.15 5.30 2.5531 -1 0 4 2 35.39 3.99 2.5365 -1 3 1 4 35.53 1.47 2.5267 -2 0 4 2 35.55 30.67 2.5250 -2 2 3 4 35.71 19.53 2.5143 2 1 3 4 36.24 7.78 2.4788 5 0 0 2 36.24 8.16 2.4787 -5 0 2 2 36.29 1.31 2.4752 0 0 4 2 36.80 11.34 2.4425 4 2 0 4 36.89 7.92 2.4367 -5 1 1 4 36.93 5.76 2.4337 2 3 0 4 36.99 9.42 2.4305 -1 1 4 4 37.17 5.61 2.4191 -2 3 1 4 37.39 6.62 2.4051 -3 0 4 2 37.92 10.91 2.3730 4 0 2 2 38.03 20.60 2.3660 -5 1 2 4 38.08 5.12 2.3630 0 1 4 4 38.40 7.07 2.3443 -1 3 2 4 38.58 3.92 2.3338 0 3 2 4 38.84 12.98 2.3184 1 0 4 2 38.97 3.19 2.3113 2 3 1 4 39.13 1.38 2.3018 -3 1 4 4 40.27 2.76 2.2397 -3 3 1 4 40.48 15.91 2.2284 3 3 0 4 40.54 1.03 2.2255 1 1 4 4 40.56 5.22 2.2243 -4 0 4 2 40.65 2.02 2.2197 3 1 3 4 41.99 9.84 2.1516 -5 2 1 4 42.08 1.95 2.1473 -1 2 4 4 42.17 5.65 2.1431 -3 3 2 4 42.19 12.26 2.1418 -4 1 4 4 42.59 1.35 2.1230 2 0 4 2 43.07 2.51 2.1003 0 2 4 4 43.29 3.62 2.0902 -1 3 3 4 43.98 1.00 2.0587 -6 1 1 4 44.02 3.68 2.0570 -3 2 4 4 44.16 2.51 2.0509 2 1 4 4 44.48 1.95 2.0368 4 2 2 4 44.58 1.60 2.0324 -6 1 2 4 44.80 6.10 2.0231 5 0 2 2 44.81 3.50 2.0228 -5 0 4 2 45.05 8.08 2.0123 4 3 0 4 45.30 1.51 2.0020 1 2 4 4 45.40 1.95 1.9977 3 2 3 4 45.66 2.22 1.9867 1 3 3 4 45.83 1.47 1.9798 -4 3 2 4 45.93 6.91 1.9758 -2 1 5 4 45.96 1.35 1.9745 -3 3 3 4 46.32 1.72 1.9601 -5 1 4 4 46.33 3.23 1.9598 1 4 0 4 46.68 2.45 1.9460 0 4 1 4 46.90 1.97 1.9371 -1 4 1 4 47.07 2.13 1.9305 -3 1 5 4 47.31 1.41 1.9213 0 1 5 4 48.14 4.25 1.8902 2 4 0 4 48.33 4.07 1.8833 -2 4 1 4 48.47 6.21 1.8780 -6 2 1 4 48.60 4.26 1.8735 6 1 1 4 48.62 5.67 1.8728 2 3 3 4 48.64 1.54 1.8720 2 2 4 4 49.03 2.74 1.8580 -6 2 2 4 49.04 3.74 1.8575 -4 3 3 4 49.62 4.29 1.8374 -1 3 4 4 49.76 2.96 1.8325 1 1 5 4 49.76 2.75 1.8324 6 2 0 4 50.19 1.37 1.8176 -7 0 2 2 50.34 4.13 1.8125 -2 4 2 4 50.44 9.07 1.8091 5 3 0 4 50.64 2.56 1.8025 5 2 2 4 50.65 2.54 1.8023 -5 2 4 4 50.78 1.01 1.7980 1 4 2 4 50.87 1.26 1.7949 -3 4 1 4 51.32 1.61 1.7801 -6 1 4 4 51.33 1.61 1.7799 -3 3 4 4 51.38 6.67 1.7783 -6 2 3 4 51.74 1.07 1.7667 4 3 2 4 52.06 2.15 1.7566 6 0 2 2 52.47 2.31 1.7439 1 3 4 4 52.56 4.03 1.7411 3 3 3 4 52.71 1.37 1.7366 5 1 3 4 52.80 1.71 1.7339 4 0 4 2 52.93 1.77 1.7298 3 2 4 4 52.99 1.43 1.7281 7 1 0 4 53.10 6.95 1.7247 -5 3 3 4 53.17 1.05 1.7226 2 4 2 4 53.23 4.13 1.7208 2 1 5 4 53.42 2.35 1.7151 -1 4 3 4 53.51 2.51 1.7124 -7 1 3 4 53.84 13.63 1.7027 -4 3 4 4 53.88 2.49 1.7015 1 2 5 4 53.90 5.21 1.7009 0 4 3 4 54.04 1.06 1.6970 -2 4 3 4 54.14 1.83 1.6940 4 1 4 4 54.43 4.75 1.6857 -4 4 1 4 54.47 3.50 1.6845 -3 0 6 2 55.37 3.99 1.6594 -6 2 4 4 55.44 4.04 1.6573 -7 2 1 4 55.47 16.69 1.6566 1 4 3 4 55.49 5.72 1.6559 2 3 4 4 55.53 2.16 1.6549 -1 1 6 4 55.70 1.52 1.6502 0 0 6 2 55.73 1.04 1.6495 -3 4 3 4 55.77 3.91 1.6484 -7 0 4 2 55.85 6.34 1.6462 -6 3 2 4 56.22 1.77 1.6362 -4 0 6 2 56.52 1.35 1.6283 6 3 0 4 56.56 4.42 1.6271 3 4 2 4 56.68 2.29 1.6240 5 2 3 4 56.98 1.64 1.6160 -6 1 5 4 57.07 1.96 1.6139 -1 3 5 4 57.33 2.89 1.6072 5 3 2 4 57.45 2.81 1.6041 -7 2 3 4 57.51 15.26 1.6025 -4 1 6 4 57.61 1.23 1.5999 3 1 5 4 58.05 3.61 1.5889 4 2 4 4 58.06 1.66 1.5888 2 4 3 4 58.19 1.73 1.5855 0 3 5 4 58.87 3.25 1.5686 -5 4 1 4 58.97 4.01 1.5662 -5 0 6 2 59.00 1.91 1.5655 -8 1 2 4 59.16 2.93 1.5616 -8 1 1 4 59.30 4.00 1.5583 6 3 1 4 59.38 12.11 1.5565 -1 2 6 4 59.44 1.40 1.5550 3 3 4 4 59.48 2.37 1.5540 1 1 6 4 59.59 11.68 1.5515 6 1 3 4 59.62 4.43 1.5506 -3 2 6 4 59.68 7.29 1.5493 8 0 0 2 59.68 1.06 1.5493 -5 4 2 4 59.75 2.60 1.5478 1 5 1 4 59.98 1.55 1.5423 -4 3 5 4 60.04 3.34 1.5409 7 2 1 4 60.21 5.46 1.5368 5 1 4 4 60.32 4.63 1.5344 1 3 5 4 60.32 5.25 1.5344 -2 5 1 4 60.48 1.57 1.5308 -3 4 4 4 60.77 4.43 1.5241 -6 2 5 4 60.93 3.38 1.5206 8 1 0 4 61.19 2.91 1.5148 -1 5 2 4 61.58 8.00 1.5059 3 4 3 4 61.70 1.21 1.5033 -6 3 4 4 62.06 5.59 1.4955 -7 1 5 4 62.07 2.66 1.4954 5 4 1 4 62.07 1.13 1.4953 -5 4 3 4 62.45 2.71 1.4872 1 5 2 4 62.53 1.47 1.4854 -3 5 1 4 62.68 5.64 1.4821 3 5 0 4 62.72 1.77 1.4815 -8 2 2 4 63.18 3.65 1.4716 7 3 0 4 63.45 1.30 1.4661 -8 1 4 4 63.57 1.05 1.4635 6 3 2 4 63.65 3.80 1.4619 -7 3 3 4 63.89 3.07 1.4571 5 2 4 4 64.22 4.08 1.4503 4 3 4 4 64.55 2.54 1.4437 2 5 2 4 64.59 2.18 1.4429 7 2 2 4 65.22 1.95 1.4305 -3 1 7 4 65.59 7.17 1.4232 -1 1 7 4 65.63 6.73 1.4226 -2 4 5 4 65.67 3.57 1.4218 -9 0 2 2 65.69 1.51 1.4213 -1 4 5 4 66.01 2.51 1.4153 3 0 6 2 66.13 1.67 1.4131 4 5 0 4 66.49 1.99 1.4062 2 2 6 4 66.53 1.49 1.4054 -3 4 5 4 66.56 7.81 1.4050 -6 4 3 4 66.60 1.46 1.4041 1 5 3 4 66.81 4.69 1.4002 0 3 6 4 66.85 1.41 1.3995 -9 1 2 4 67.28 1.28 1.3917 -4 3 6 4 67.42 1.99 1.3891 -6 2 6 4 67.91 2.81 1.3803 -9 1 3 4 68.39 3.19 1.3717 -4 4 5 4 68.45 1.71 1.3707 -2 2 7 4 68.65 6.69 1.3672 -8 3 2 4 69.28 1.20 1.3562 -4 5 3 4 69.98 3.99 1.3444 -2 5 4 4 70.39 1.22 1.3376 6 2 4 4 70.42 2.12 1.3370 5 5 0 4 70.42 3.44 1.3370 -5 5 2 4 70.43 1.24 1.3368 -9 1 4 4 70.46 1.74 1.3365 0 5 4 4 71.13 1.33 1.3254 4 0 6 2 71.16 1.20 1.3250 5 4 3 4 71.36 1.38 1.3217 -9 2 3 4 71.83 1.20 1.3142 -7 4 3 4 72.14 1.18 1.3093 -5 2 7 4 72.16 1.71 1.3091 4 3 5 4 72.17 1.11 1.3088 3 5 3 4 72.18 1.66 1.3088 -1 6 1 4 72.27 4.60 1.3073 4 1 6 4 72.34 1.52 1.3062 8 2 2 4 72.62 1.01 1.3019 -5 5 3 4 72.67 3.83 1.3011 9 2 0 4 73.13 1.54 1.2940 2 6 0 4 73.25 1.17 1.2923 -4 5 4 4 73.49 2.32 1.2886 8 3 1 4 74.15 1.94 1.2787 7 4 1 4 74.18 1.69 1.2783 0 6 2 4 74.20 1.80 1.2780 7 1 4 4 74.44 1.09 1.2745 -3 3 7 4 74.87 1.14 1.2683 -2 6 2 4 75.23 4.27 1.2631 -1 0 8 2 75.65 1.05 1.2572 4 2 6 4 75.98 1.18 1.2525 -9 3 2 4 77.01 2.39 1.2383 3 6 1 4 77.55 2.21 1.2310 3 1 7 4 77.87 2.20 1.2267 -2 6 3 4 78.16 1.26 1.2228 0 1 8 4 79.22 2.76 1.2092 -10 2 3 4 80.14 1.21 1.1976 -7 5 1 4 80.29 1.20 1.1958 -7 5 2 4 81.04 1.09 1.1865 8 0 4 2 81.43 1.49 1.1818 -5 2 8 4 81.56 1.53 1.1803 10 1 1 4 81.83 1.05 1.1770 -7 5 3 4 82.14 1.27 1.1735 8 1 4 4 82.46 1.84 1.1697 -8 3 6 4 82.93 2.41 1.1642 -9 2 6 4 84.51 1.08 1.1465 -11 1 3 4 84.72 1.77 1.1442 0 5 6 4 84.77 2.08 1.1436 -7 5 4 4 85.15 1.11 1.1395 -4 5 6 4 86.85 2.18 1.1215 5 3 6 4 87.47 2.83 1.1151 5 5 4 4 88.09 1.58 1.1089 8 5 0 4 88.33 1.71 1.1065 -6 4 7 4 88.64 1.32 1.1034 -5 1 9 4 88.82 1.33 1.1017 -6 6 3 4 88.85 1.03 1.1014 -8 1 8 4 89.43 1.29 1.0957 1 7 2 4 89.70 2.95 1.0931 2 4 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.