Penikisite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060160 Bowman M G, Downs R T, Yang H Acta Crystallographica E69 (2013) i4-i5 Penikisite, BaMg2Al2(PO4)3(OH)3, isostructural with bjarebyite Locality: Mayo Mining District, Yukon Territory, Canada _database_code_amcsd 0019754 CELL PARAMETERS: 8.9577 12.0150 4.9079 90.000 100.505 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.54787 0.75000 0.74171 1.000 0.580 Mg 0.29439 -0.11139 0.20677 0.985 0.557 Mn 0.29439 -0.11139 0.20677 0.015 0.557 Al 0.09176 0.40084 0.12947 1.000 0.317 P 0.15736 0.75000 0.68481 1.000 0.369 P 0.33413 0.44282 0.70566 1.000 0.391 O 0.27909 0.75000 0.94710 1.000 0.568 O 0.23251 0.75000 0.43030 1.000 0.537 O 0.05983 0.64525 0.68500 1.000 0.625 O 0.36649 0.55738 0.60500 1.000 0.668 O 0.25965 0.45434 0.96970 1.000 0.640 O 0.22678 0.38012 0.47410 1.000 0.724 O 0.47653 0.37189 0.79010 1.000 0.648 Oh 0.12478 0.25000 0.00770 1.000 0.655 Oh 0.06100 0.55814 0.18910 1.000 0.536 H 0.13700 0.25000 -0.14700 1.000 2.369 H 0.04600 0.58500 0.32500 1.000 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 11 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 12.45998528 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.04 63.13 8.8076 1 0 0 14.75 17.59 6.0075 0 2 0 17.87 37.36 4.9629 1 2 0 19.29 7.67 4.6002 -1 0 1 19.83 68.86 4.4780 0 1 1 20.68 11.97 4.2961 -1 1 1 21.49 19.22 4.1348 2 1 0 22.57 2.00 3.9401 1 0 1 23.65 1.14 3.7622 0 2 1 23.77 1.37 3.7440 1 1 1 24.42 9.83 3.6458 1 3 0 25.07 28.99 3.5517 2 2 0 25.86 11.25 3.4447 -2 1 1 27.06 12.31 3.2947 1 2 1 28.94 55.18 3.0852 -2 2 1 28.97 100.00 3.0819 0 3 1 29.57 55.88 3.0206 -1 3 1 29.74 2.27 3.0038 0 4 0 30.16 16.02 2.9629 2 3 0 30.79 51.88 2.9038 2 1 1 31.37 24.34 2.8519 3 1 0 31.47 21.43 2.8430 1 4 0 31.86 36.78 2.8088 1 3 1 32.69 3.24 2.7397 -3 0 1 33.45 40.63 2.6786 2 2 1 33.55 39.08 2.6712 -3 1 1 33.99 47.19 2.6377 3 2 0 35.70 1.08 2.5151 -1 4 1 36.03 9.42 2.4927 -3 2 1 36.20 2.43 2.4815 2 4 0 36.78 24.10 2.4434 -1 0 2 37.27 20.64 2.4128 0 0 2 37.52 5.66 2.3972 2 3 1 37.66 3.08 2.3888 1 4 1 38.00 18.59 2.3678 3 3 0 38.04 1.72 2.3656 0 1 2 38.70 2.77 2.3268 3 0 1 38.85 1.86 2.3183 1 5 0 39.08 11.42 2.3052 -2 4 1 39.17 7.35 2.3001 -2 0 2 39.45 2.96 2.2844 3 1 1 39.83 3.27 2.2633 -1 2 2 39.91 18.17 2.2591 -2 1 2 40.28 5.23 2.2390 0 2 2 41.70 14.88 2.1658 4 1 0 41.88 1.14 2.1572 -4 0 1 42.00 5.48 2.1511 0 5 1 42.06 2.16 2.1480 -2 2 2 42.44 34.70 2.1299 -1 5 1 42.65 1.03 2.1200 2 4 1 42.87 7.55 2.1094 2 5 0 43.08 6.31 2.0996 3 4 0 43.35 16.14 2.0873 1 2 2 43.79 2.12 2.0674 4 2 0 44.02 4.68 2.0571 -3 0 2 44.14 6.23 2.0516 1 5 1 44.63 13.62 2.0303 -4 2 1 44.69 7.27 2.0276 -3 1 2 44.77 10.93 2.0242 -3 4 1 45.06 3.26 2.0119 3 3 1 45.28 26.97 2.0025 0 6 0 45.39 3.41 1.9979 -2 5 1 45.47 4.66 1.9946 -2 3 2 46.07 10.20 1.9701 2 0 2 46.51 3.84 1.9527 1 6 0 46.67 4.56 1.9462 -3 2 2 46.69 5.55 1.9456 1 3 2 46.72 6.36 1.9441 2 1 2 47.10 3.01 1.9295 4 3 0 47.90 5.23 1.8993 -4 3 1 48.00 1.17 1.8955 -1 4 2 48.39 1.04 1.8811 0 4 2 48.47 1.34 1.8781 4 0 1 48.59 5.18 1.8737 2 5 1 48.64 10.19 1.8720 2 2 2 48.99 2.75 1.8595 3 5 0 49.55 5.98 1.8395 3 4 1 49.65 3.22 1.8361 -1 6 1 49.83 1.47 1.8298 -3 3 2 49.94 4.79 1.8262 -2 4 2 50.52 5.50 1.8066 -3 5 1 50.78 3.31 1.7978 -4 0 2 50.94 1.30 1.7925 4 2 1 51.07 7.15 1.7884 1 4 2 51.39 7.69 1.7780 -4 1 2 51.91 4.21 1.7615 5 0 0 51.91 1.88 1.7614 -5 0 1 52.20 5.40 1.7522 -4 4 1 52.50 4.73 1.7429 5 1 0 53.18 4.03 1.7223 -4 2 2 53.36 1.34 1.7168 3 0 2 53.48 1.62 1.7133 -1 5 2 53.95 2.08 1.6996 3 1 2 54.03 2.33 1.6972 -3 4 2 54.27 1.85 1.6902 -5 2 1 54.93 12.63 1.6716 3 5 1 55.29 8.11 1.6616 -2 5 2 55.68 7.08 1.6508 3 2 2 55.81 1.84 1.6474 2 4 2 56.34 1.79 1.6330 1 5 2 56.79 2.66 1.6210 -1 1 3 56.94 6.98 1.6172 0 7 1 56.96 4.92 1.6167 -3 6 1 57.12 4.31 1.6124 5 3 0 57.28 1.35 1.6084 -2 0 3 57.40 1.97 1.6053 -4 5 1 57.91 9.29 1.5924 4 4 1 58.67 1.11 1.5736 1 7 1 59.01 11.77 1.5653 5 0 1 59.12 2.26 1.5627 -3 5 2 59.50 4.22 1.5536 -2 2 3 59.57 2.14 1.5520 -5 1 2 59.70 7.27 1.5488 -1 6 2 59.97 1.36 1.5426 -4 4 2 60.04 4.75 1.5409 0 6 2 60.80 3.14 1.5235 2 5 2 60.89 1.59 1.5214 1 1 3 60.91 3.79 1.5211 -3 1 3 60.98 1.12 1.5195 5 4 0 60.98 8.62 1.5194 -5 4 1 61.05 3.16 1.5178 3 6 1 61.19 1.42 1.5148 5 2 1 61.20 6.13 1.5145 -1 3 3 61.77 3.35 1.5019 0 8 0 62.03 1.80 1.4963 4 0 2 62.19 13.48 1.4927 0 3 3 62.20 3.44 1.4925 -2 3 3 62.29 3.50 1.4905 3 4 2 62.37 7.01 1.4889 2 7 1 62.37 1.11 1.4887 1 6 2 62.50 1.20 1.4861 1 2 3 62.51 5.75 1.4858 -3 2 3 62.56 2.36 1.4848 4 1 2 62.70 10.53 1.4818 3 7 0 62.71 4.53 1.4816 -6 0 1 62.76 1.23 1.4805 1 8 0 63.85 1.50 1.4579 5 3 1 63.86 14.52 1.4577 -5 3 2 63.89 3.10 1.4571 6 1 0 64.01 5.91 1.4546 -3 7 1 65.00 1.70 1.4349 -3 6 2 65.13 1.01 1.4323 1 3 3 65.28 1.66 1.4293 2 0 3 65.69 1.04 1.4215 2 8 0 65.73 1.63 1.4207 5 5 0 65.80 5.20 1.4193 2 1 3 65.87 3.88 1.4180 0 4 3 66.59 2.15 1.4044 2 6 2 66.64 2.74 1.4034 1 8 1 66.74 3.95 1.4016 4 3 2 67.47 3.21 1.3882 5 4 1 67.48 3.34 1.3880 -5 4 2 67.60 3.76 1.3858 -2 8 1 68.02 1.43 1.3783 6 3 0 68.73 5.16 1.3657 -3 4 3 69.00 3.13 1.3610 -6 1 2 69.11 1.19 1.3593 1 7 2 69.43 2.61 1.3537 4 7 0 70.10 4.94 1.3423 2 8 1 70.42 5.02 1.3371 3 8 0 70.44 1.30 1.3367 0 5 3 71.31 3.12 1.3226 -5 6 1 71.60 1.82 1.3179 -3 7 2 71.89 1.53 1.3132 5 0 2 72.35 2.47 1.3061 6 2 1 72.39 2.22 1.3055 5 1 2 72.99 1.95 1.2961 -6 3 2 73.21 3.01 1.2928 1 5 3 73.22 1.68 1.2926 -3 5 3 73.38 1.59 1.2903 -4 4 3 73.62 2.04 1.2867 0 9 1 73.88 1.55 1.2827 -5 2 3 73.93 1.03 1.2821 -1 9 1 74.10 1.38 1.2795 -1 8 2 74.23 1.77 1.2776 2 9 0 74.40 1.37 1.2750 0 8 2 74.81 1.04 1.2691 6 3 1 75.96 2.61 1.2527 6 5 0 76.30 1.46 1.2480 3 3 3 76.31 4.62 1.2479 5 3 2 76.31 1.26 1.2478 -7 2 1 76.52 2.37 1.2450 1 8 2 76.77 2.75 1.2415 -4 7 2 76.83 1.19 1.2407 4 8 0 77.38 8.17 1.2333 5 6 1 77.51 1.96 1.2315 7 2 0 77.67 2.75 1.2293 5 7 0 77.74 1.17 1.2284 2 5 3 77.76 2.52 1.2282 -4 5 3 77.95 5.15 1.2257 -1 0 4 78.58 1.06 1.2175 -3 6 3 78.73 1.07 1.2154 -2 1 4 78.92 1.08 1.2130 -3 8 2 79.44 1.03 1.2064 0 0 4 79.70 4.78 1.2031 -5 4 3 79.83 2.33 1.2015 0 10 0 79.92 1.30 1.2004 7 3 0 80.03 1.03 1.1989 4 0 3 80.06 2.11 1.1985 -6 0 3 80.40 3.39 1.1944 2 8 2 80.67 2.82 1.1910 -6 6 1 80.72 1.69 1.1905 1 10 0 80.82 1.26 1.1892 -3 1 4 81.23 3.12 1.1842 -1 7 3 81.35 1.31 1.1828 0 2 4 81.97 1.15 1.1754 -6 2 3 82.08 1.28 1.1741 -7 4 1 83.01 1.36 1.1633 2 6 3 83.26 1.20 1.1605 7 4 0 83.61 2.70 1.1565 -5 7 2 83.78 1.74 1.1546 -2 9 2 83.97 2.84 1.1525 3 5 3 83.98 1.47 1.1524 5 5 2 84.62 1.06 1.1453 7 2 1 84.63 2.23 1.1452 -3 3 4 84.66 2.59 1.1448 -4 1 4 84.96 1.82 1.1416 4 9 0 86.00 1.33 1.1304 3 8 2 86.35 3.29 1.1267 -7 5 1 86.98 1.90 1.1201 7 3 1 87.01 1.07 1.1198 -3 9 2 87.04 1.28 1.1195 0 4 4 87.52 1.18 1.1147 7 5 0 89.16 2.01 1.0983 2 7 3 89.22 2.80 1.0977 -2 8 3 89.36 2.97 1.0964 8 1 0 89.57 2.52 1.0944 2 2 4 89.74 1.09 1.0927 5 0 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.