Hilgardite-1A Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070426 Burns P C, Hawthorne F C Acta Crystallographica C50 (1994) 653-655 Refinement of the structure of hilgardite-1A Locality: Penobsquis potash deposit, Sussex, New Brunswick CELL PARAMETERS: 6.4540 6.5610 6.2930 61.567 118.728 105.850 SPACE GROUP: P1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 1.000 0.695 Ca 0.45240 0.54840 0.10990 1.000 0.782 B 0.47410 0.87070 0.47130 1.000 0.371 B 0.33060 0.09090 0.60160 1.000 0.395 B 0.55150 0.02450 0.07130 1.000 0.490 B 0.88230 0.00300 0.48370 1.000 0.584 B 0.44760 0.42110 0.71380 1.000 0.568 O 0.44770 0.64240 0.67500 1.000 0.719 O 0.72210 0.96300 0.58490 1.000 0.632 O 0.42050 0.85250 0.22580 1.000 0.490 O 0.30810 0.02760 0.40280 1.000 0.521 O 0.10800 0.05180 0.63720 1.000 0.758 O 0.39460 0.34990 0.51940 1.000 0.687 O 0.51190 0.96520 0.86200 1.000 0.490 O 0.81050 0.01020 0.23800 1.000 0.726 O 0.48510 0.26340 0.97060 1.000 0.624 Cl 0.97960 0.47300 0.81210 1.000 1.224 Wa 0.88620 0.58130 0.22180 1.000 1.682 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 5.420822138 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.38 36.88 5.7601 0 1 0 15.68 31.40 5.6503 1 0 0 17.61 17.70 5.0362 0 0 1 17.75 3.09 4.9970 -1 1 1 18.05 1.31 4.9158 0 1 1 21.39 19.49 4.1546 -1 1 0 22.67 1.22 3.9226 1 1 0 27.89 15.59 3.1984 0 -1 1 28.04 34.22 3.1821 -1 2 1 28.20 9.76 3.1642 1 0 1 28.37 28.82 3.1464 -1 1 2 28.42 12.05 3.1410 -2 1 1 28.72 11.62 3.1088 -1 -1 1 28.74 2.01 3.1066 0 2 1 28.98 7.38 3.0807 1 1 1 29.14 20.97 3.0649 -2 0 1 31.05 100.00 2.8800 0 2 0 31.67 94.73 2.8251 2 0 0 32.37 14.26 2.7653 -1 0 2 32.46 28.63 2.7579 0 1 2 32.47 6.98 2.7573 -1 2 2 32.68 27.66 2.7400 -2 1 2 34.12 12.65 2.6277 -1 2 0 34.55 9.92 2.5961 -2 1 0 35.52 2.64 2.5275 -2 2 1 35.65 6.05 2.5181 0 0 2 35.80 6.67 2.5083 1 2 0 35.94 2.09 2.4985 -2 2 2 36.21 10.60 2.4808 2 1 0 36.56 5.15 2.4579 0 2 2 37.19 2.15 2.4174 1 2 1 37.27 4.93 2.4123 -2 -1 1 42.03 5.82 2.1499 0 -2 1 42.17 16.74 2.1430 -1 3 1 42.48 21.05 2.1281 -1 -1 2 42.63 4.32 2.1208 -1 3 2 42.70 31.34 2.1177 2 0 1 42.86 7.40 2.1101 1 1 2 42.93 1.53 2.1067 -3 1 1 42.96 2.26 2.1054 -1 -2 1 43.01 5.78 2.1029 0 3 1 43.20 10.41 2.0942 -3 1 2 43.57 4.31 2.0773 -2 2 0 43.59 4.49 2.0762 2 1 1 44.46 5.14 2.0377 -1 1 3 44.64 5.94 2.0299 -2 2 3 44.69 32.40 2.0279 -1 2 3 44.76 6.42 2.0249 -2 1 3 44.79 6.09 2.0235 0 -1 2 45.08 1.02 2.0109 1 0 2 45.10 6.58 2.0102 -2 3 2 45.49 18.29 1.9941 -3 2 2 46.28 9.70 1.9617 0 3 2 46.29 6.10 1.9613 2 2 0 46.30 17.63 1.9610 -2 -1 2 46.50 1.49 1.9530 1 2 2 46.75 14.86 1.9432 -3 0 2 47.21 1.87 1.9254 1 -2 1 47.35 5.09 1.9200 0 3 0 47.41 11.15 1.9174 -2 3 1 47.62 3.48 1.9095 2 -1 1 47.87 8.55 1.9001 -3 2 1 48.32 3.27 1.8834 3 0 0 49.24 5.38 1.8506 -1 3 0 49.70 15.83 1.8344 1 3 1 49.73 4.44 1.8334 -2 -2 1 49.84 4.50 1.8295 -1 0 3 49.99 5.75 1.8244 0 1 3 50.07 11.90 1.8219 2 2 1 50.11 5.65 1.8203 -2 3 3 50.21 5.38 1.8171 -3 -1 1 50.38 6.30 1.8111 -3 2 3 50.47 4.66 1.8084 -1 3 3 50.51 3.59 1.8069 0 2 3 51.12 1.43 1.7869 1 3 0 51.94 1.07 1.7605 3 1 0 52.60 13.90 1.7401 1 -1 2 53.02 3.21 1.7271 -3 3 2 55.11 3.69 1.6666 1 3 2 55.14 1.53 1.6657 -3 3 3 55.26 7.93 1.6622 -3 -1 2 56.02 1.53 1.6415 -1 -2 2 56.13 2.12 1.6386 0 3 3 56.37 1.02 1.6321 -2 3 0 56.78 2.31 1.6215 2 1 2 57.19 2.95 1.6106 -4 1 2 57.22 7.19 1.6100 2 -2 1 57.47 5.37 1.6035 -3 3 1 57.64 1.83 1.5992 0 -2 2 57.98 2.27 1.5906 0 -3 1 58.12 3.54 1.5871 -1 4 1 59.00 1.36 1.5655 -1 -3 1 59.06 1.12 1.5642 3 0 1 59.31 1.04 1.5581 -4 1 1 59.71 4.32 1.5486 -1 -1 3 59.77 1.01 1.5472 2 3 0 60.06 1.41 1.5404 2 2 2 60.16 1.87 1.5382 1 1 3 60.23 1.08 1.5364 3 2 0 60.27 3.57 1.5356 -4 0 1 60.51 1.29 1.5302 -2 -1 3 60.63 3.26 1.5273 -1 4 3 60.71 2.05 1.5256 -4 2 3 60.80 1.49 1.5235 2 3 1 60.89 1.08 1.5213 1 2 3 61.00 1.46 1.5189 -2 1 4 61.02 5.01 1.5185 -1 2 4 61.28 1.48 1.5126 -3 2 4 61.35 2.99 1.5111 -4 1 3 62.11 1.22 1.4945 -2 4 1 63.39 2.24 1.4673 -3 3 4 63.67 1.14 1.4616 -1 3 4 63.78 3.19 1.4594 0 -1 3 63.81 1.48 1.4587 -3 1 4 64.51 1.40 1.4445 -3 4 2 64.70 2.60 1.4408 -4 3 3 64.74 2.85 1.4400 0 4 0 64.83 1.11 1.4382 -2 -3 1 64.99 1.21 1.4349 -4 3 2 65.81 1.22 1.4192 -4 -1 1 66.03 2.50 1.4150 -1 4 0 66.15 2.36 1.4126 4 0 0 67.34 2.83 1.3905 -4 1 0 67.50 2.41 1.3877 -3 -2 2 67.65 1.02 1.3849 -3 3 0 67.76 2.19 1.3830 2 3 2 67.77 1.15 1.3827 -2 0 4 68.02 1.49 1.3782 -4 -1 2 68.11 1.11 1.3766 1 4 0 69.41 1.96 1.3540 4 1 0 69.42 1.34 1.3538 -1 0 4 70.29 1.18 1.3391 2 -3 1 70.55 1.95 1.3350 -3 4 1 70.67 1.76 1.3330 -1 4 4 70.70 1.08 1.3325 -3 0 4 71.08 1.42 1.3263 -4 3 1 71.13 1.03 1.3255 -4 1 4 72.24 1.75 1.3078 1 -1 3 72.26 1.01 1.3075 3 3 0 72.87 1.24 1.2980 -4 2 0 74.17 3.55 1.2784 -1 5 3 74.78 1.90 1.2695 2 2 3 75.26 1.39 1.2627 3 3 1 75.31 1.08 1.2619 -2 -3 2 75.40 2.07 1.2607 -4 -2 1 75.76 4.09 1.2555 0 -4 1 75.82 1.05 1.2547 -4 -1 3 75.86 1.35 1.2542 2 4 0 77.20 1.19 1.2357 2 0 3 77.35 1.53 1.2336 4 0 1 77.64 1.20 1.2298 -5 1 1 78.46 1.23 1.2190 -2 -1 4 78.73 1.60 1.2155 -5 0 1 78.74 1.12 1.2153 1 -3 2 79.00 4.57 1.2120 1 2 4 79.66 1.22 1.2036 3 -1 2 79.89 1.00 1.2007 2 3 3 81.56 1.29 1.1803 -1 5 4 82.37 2.44 1.1707 -2 -4 1 82.40 1.57 1.1703 1 5 1 82.40 1.33 1.1703 -4 3 0 82.47 1.67 1.1696 -5 1 4 82.87 1.17 1.1649 -3 -3 2 83.65 1.47 1.1560 3 3 2 83.96 1.74 1.1525 -5 -1 1 84.02 1.05 1.1519 -5 -1 2 86.49 3.34 1.1253 2 -4 1 88.70 1.30 1.1028 -4 -3 1 88.83 2.69 1.1016 1 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.