Gormanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080075 Le Bail A, Stephens P W, Hubert F European Journal of Mineralogy 15 (2003) 719-723 A crystal structure for the souzalite/gormanite series from synchrotron powder diffraction data Note: sample is exactly in middle of souzalite/gormanite series Locality: Rapid Creek, Yukon, Canada _database_code_amcsd 0019923 CELL PARAMETERS: 7.2770 11.8120 5.1420 90.230 110.190 81.320 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.00000 0.00000 0.584 0.530 Mg 0.00000 0.00000 0.00000 0.416 0.530 Mg 0.92630 0.27330 0.97290 0.542 0.530 Fe 0.92630 0.27330 0.97290 0.458 0.530 P 0.26350 0.56160 0.61240 1.000 0.790 P 0.12680 0.14460 0.56040 1.000 0.790 Al 0.00000 0.50000 0.00000 0.858 0.230 Fe 0.00000 0.50000 0.00000 0.142 0.230 Al 0.50000 0.00000 0.50000 1.000 0.230 Al 0.59260 0.69750 0.52580 1.000 0.230 O 0.12590 0.58440 0.30780 1.000 0.320 O 0.85510 0.42250 0.18510 1.000 0.320 O 0.38010 0.43700 0.65110 1.000 0.320 O 0.41110 0.65200 0.68510 1.000 0.320 O 0.00720 0.14200 0.75260 1.000 0.320 O 0.99290 0.14110 0.25660 1.000 0.320 O 0.22210 0.25460 0.60580 1.000 0.320 O 0.70470 0.96360 0.35940 1.000 0.320 OH 0.51810 0.84510 0.63720 1.000 1.940 OH 0.37540 0.74430 0.15450 0.500 1.940 Wa 0.37540 0.74430 0.15450 0.500 1.940 OH 0.79510 0.64270 0.89110 1.000 1.940 OH 0.31840 0.96290 0.13560 0.500 1.940 Wa 0.31840 0.96290 0.13560 0.500 1.940 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 10 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 4.444929707 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.58 3.49 11.6610 0 1 0 13.13 75.84 6.7426 1 0 0 15.20 2.26 5.8305 0 2 0 16.20 2.87 5.4715 -1 1 0 18.41 13.99 4.8196 0 0 1 18.46 23.40 4.8053 1 2 0 18.53 73.79 4.7893 -1 0 1 19.56 1.41 4.5379 0 1 1 19.60 19.35 4.5295 -1 -1 1 20.30 1.55 4.3748 0 -1 1 20.48 8.85 4.3372 -1 1 1 21.68 24.99 4.0990 -1 2 0 22.88 5.71 3.8870 0 3 0 23.30 4.14 3.8181 -1 -2 1 23.33 10.91 3.8130 0 2 1 24.55 8.28 3.6268 1 3 0 24.57 10.29 3.6237 0 -2 1 24.77 14.57 3.5937 -1 2 1 26.21 100.00 3.4002 1 0 1 26.32 20.31 3.3858 2 1 0 26.43 8.99 3.3719 1 1 1 26.44 14.59 3.3713 2 0 0 26.46 11.42 3.3684 -2 0 1 26.63 6.96 3.3477 -2 -1 1 28.18 56.31 3.1663 1 -1 1 28.27 32.33 3.1569 -1 3 0 28.39 34.82 3.1436 2 2 0 28.47 36.38 3.1350 -2 1 1 28.67 10.09 3.1135 -1 -3 1 28.71 7.77 3.1092 -2 1 0 28.75 1.41 3.1053 0 3 1 28.81 30.30 3.0991 1 2 1 28.94 52.99 3.0856 -2 -2 1 30.28 16.24 2.9518 0 -3 1 30.50 58.94 2.9309 -1 3 1 30.67 4.83 2.9153 0 4 0 31.43 6.27 2.8461 1 4 0 32.29 1.85 2.7727 -2 2 1 32.73 5.12 2.7358 -2 2 0 32.98 1.25 2.7163 -2 -3 1 34.90 51.65 2.5709 -1 0 2 35.03 38.60 2.5614 -1 -4 1 35.14 21.87 2.5537 0 4 1 35.44 1.46 2.5329 -1 4 0 35.81 1.25 2.5077 -1 1 2 36.85 6.56 2.4391 0 -4 1 37.08 4.44 2.4247 -1 4 1 37.11 14.47 2.4227 1 -3 1 37.32 7.50 2.4098 0 0 2 37.42 2.73 2.4035 -2 3 1 37.48 29.17 2.3993 -3 -1 1 37.51 4.91 2.3978 2 0 1 37.73 1.83 2.3845 0 1 2 37.81 17.69 2.3792 -3 0 1 38.25 24.02 2.3533 1 4 1 38.27 6.89 2.3521 -2 -4 1 38.79 6.20 2.3213 1 5 0 38.86 2.96 2.3177 -2 1 2 39.61 7.32 2.2753 3 1 0 39.80 5.80 2.2647 -2 -2 2 40.12 3.78 2.2475 3 0 0 41.40 1.95 2.1808 2 3 1 41.57 2.68 2.1723 -3 -3 1 42.03 3.50 2.1496 -1 -5 1 42.16 4.20 2.1433 0 5 1 42.25 1.48 2.1389 -1 3 2 43.01 8.72 2.1030 -1 5 0 43.07 2.84 2.1002 -3 2 1 43.17 3.24 2.0958 3 3 0 43.17 1.30 2.0954 1 -4 1 43.48 2.61 2.0813 -2 4 1 43.53 1.32 2.0792 2 5 0 44.00 7.38 2.0579 0 -5 1 44.06 8.81 2.0554 1 1 2 44.10 8.39 2.0537 1 0 2 44.23 12.82 2.0477 -1 5 1 44.41 9.85 2.0397 -3 -1 2 44.52 1.38 2.0350 -3 0 2 45.29 8.75 2.0022 0 -3 2 45.51 4.77 1.9933 -3 2 0 45.52 1.26 1.9928 2 4 1 45.55 3.89 1.9913 1 -1 2 45.64 9.74 1.9878 -3 -4 1 45.71 8.03 1.9849 -2 3 2 46.95 15.58 1.9353 3 4 0 47.00 7.77 1.9335 -1 -4 2 47.23 1.33 1.9246 2 -3 1 47.27 8.73 1.9230 -1 4 2 47.63 16.07 1.9091 -2 -4 2 47.70 16.72 1.9065 0 4 2 48.16 1.06 1.8896 1 3 2 49.52 1.35 1.8409 -1 -6 1 49.84 21.60 1.8297 3 1 1 50.01 4.68 1.8238 -3 3 0 50.15 1.42 1.8192 -4 -1 1 50.32 1.96 1.8134 2 6 0 50.36 5.95 1.8118 0 -4 2 50.43 2.57 1.8096 3 0 1 50.81 1.25 1.7969 -2 4 2 51.04 8.03 1.7893 -2 5 0 51.30 1.10 1.7809 -2 -6 1 51.85 3.07 1.7634 -1 6 1 52.04 1.75 1.7574 1 4 2 52.16 2.15 1.7534 -3 -4 2 52.29 1.18 1.7495 3 -1 1 52.65 1.76 1.7384 -4 1 1 52.69 13.30 1.7371 2 -4 1 52.84 2.80 1.7327 -3 3 2 53.05 7.77 1.7262 -3 4 1 53.56 1.60 1.7111 2 1 2 53.69 9.85 1.7073 4 1 0 53.86 1.62 1.7022 -1 0 3 53.93 3.46 1.7001 2 0 2 54.05 1.79 1.6967 -4 -1 2 54.18 2.27 1.6929 4 2 0 54.42 2.87 1.6859 2 2 2 54.48 1.62 1.6842 -4 0 2 54.83 1.55 1.6744 -2 1 3 54.85 4.21 1.6739 -4 -2 2 55.13 20.41 1.6659 0 7 0 55.33 2.23 1.6603 3 -2 1 55.53 5.19 1.6549 2 -1 2 55.89 2.17 1.6451 4 3 0 56.01 3.20 1.6417 -2 -2 3 56.13 2.75 1.6386 -4 1 2 56.30 2.39 1.6341 0 -5 2 56.54 2.76 1.6276 -1 -2 3 56.67 4.08 1.6244 2 6 1 56.71 5.58 1.6232 -3 -6 1 56.77 4.91 1.6215 -2 5 2 56.84 2.63 1.6197 -4 -3 2 56.85 1.44 1.6194 -2 2 3 57.29 2.30 1.6083 1 -6 1 57.35 1.84 1.6065 0 0 3 57.54 2.74 1.6018 3 6 0 57.60 3.19 1.6003 0 7 1 57.69 1.93 1.5980 2 7 0 57.75 6.12 1.5964 -3 0 3 58.28 5.22 1.5831 2 -2 2 58.39 1.96 1.5805 0 -1 3 58.47 10.03 1.5785 -2 6 0 58.74 2.70 1.5718 4 4 0 58.81 3.27 1.5702 1 7 1 58.83 3.20 1.5698 0 2 3 58.87 3.76 1.5687 -3 1 3 58.91 4.40 1.5678 -1 3 3 58.92 11.34 1.5675 -4 2 2 59.04 1.23 1.5645 -3 -2 3 59.22 2.15 1.5604 -1 7 0 59.46 4.49 1.5546 -4 2 0 59.61 6.47 1.5509 -1 -3 3 59.67 24.70 1.5495 2 4 2 59.89 1.26 1.5445 3 5 1 59.96 25.72 1.5428 -4 -4 2 61.71 1.45 1.5031 -3 5 0 62.09 14.50 1.4948 2 -3 2 62.65 1.90 1.4829 4 5 0 62.77 11.49 1.4804 -4 3 2 62.81 5.54 1.4795 -1 4 3 62.98 1.94 1.4759 0 -6 2 63.02 2.41 1.4750 1 -5 2 63.07 2.95 1.4740 1 8 0 63.42 1.47 1.4668 -3 -7 1 63.48 3.97 1.4655 -2 6 2 63.71 5.10 1.4607 -1 -4 3 63.93 1.97 1.4562 1 1 3 64.05 2.01 1.4537 3 7 0 64.10 3.59 1.4528 -4 -5 2 64.10 3.70 1.4528 1 0 3 64.16 1.46 1.4515 -5 -1 1 64.44 2.12 1.4460 -5 -2 1 64.45 2.63 1.4457 -3 3 3 64.47 1.81 1.4454 -4 -1 3 64.72 1.56 1.4404 -4 0 3 64.79 1.16 1.4389 0 4 3 64.83 6.58 1.4381 -3 -4 3 65.15 1.01 1.4319 -4 -6 1 65.18 2.29 1.4313 1 -7 1 65.53 1.18 1.4245 4 3 1 65.60 6.15 1.4231 2 8 0 65.81 3.91 1.4191 -1 -8 1 65.81 1.18 1.4191 3 2 2 65.81 2.66 1.4190 -5 -3 1 65.99 5.16 1.4157 0 8 1 66.31 5.09 1.4096 -3 6 1 66.57 1.76 1.4048 0 7 2 66.81 1.66 1.4003 1 8 1 67.70 2.64 1.3840 3 -1 2 67.92 1.79 1.3800 -1 8 0 68.26 1.58 1.3740 -5 -4 1 68.40 4.57 1.3716 -5 1 2 68.75 1.38 1.3654 -1 -5 3 69.88 2.99 1.3460 -5 2 1 69.97 3.29 1.3446 1 4 3 69.97 1.11 1.3446 3 4 2 70.46 1.37 1.3363 3 -2 2 70.81 3.43 1.3306 -3 -8 1 70.82 1.11 1.3305 -4 5 1 71.20 1.20 1.3243 -5 2 2 71.99 1.68 1.3117 1 9 0 73.58 1.36 1.2873 3 5 2 73.61 1.75 1.2868 2 -7 1 73.64 1.30 1.2864 1 -8 1 73.70 17.35 1.2854 -2 0 4 73.92 3.06 1.2822 -5 -1 3 73.99 1.48 1.2812 -3 7 1 74.09 3.83 1.2796 2 9 0 74.68 1.01 1.2710 -1 -8 2 75.10 3.10 1.2649 -1 0 4 75.27 1.51 1.2624 -2 -9 1 75.44 2.13 1.2601 1 -4 3 75.96 4.23 1.2527 4 6 1 76.15 2.90 1.2501 -5 -6 1 76.32 3.98 1.2477 -4 4 3 77.14 6.09 1.2364 3 -6 1 77.23 1.45 1.2353 0 -9 1 77.56 1.04 1.2308 -4 6 1 77.83 5.36 1.2272 3 8 1 78.30 2.14 1.2211 4 -4 1 78.56 1.38 1.2176 -5 2 3 78.74 2.03 1.2153 -5 4 1 78.97 1.19 1.2123 -2 8 2 79.02 1.61 1.2117 1 6 3 79.32 1.78 1.2079 5 2 1 79.75 1.48 1.2025 -5 4 2 79.84 2.13 1.2013 4 8 0 80.34 1.90 1.1952 5 3 1 80.41 1.36 1.1942 -1 -3 4 80.49 1.12 1.1933 4 3 2 80.57 1.32 1.1923 0 2 4 81.02 1.70 1.1868 -3 3 4 81.29 2.38 1.1835 -4 6 0 81.92 2.22 1.1761 4 -1 2 82.42 1.16 1.1702 -2 -9 2 84.24 1.91 1.1494 -1 -10 1 84.79 1.60 1.1434 4 -2 2 84.94 1.10 1.1418 1 7 3 85.01 1.10 1.1410 3 1 3 85.32 4.86 1.1377 6 2 0 85.38 1.79 1.1370 5 5 1 85.40 1.80 1.1368 5 -2 1 85.47 1.33 1.1360 6 1 0 85.83 1.08 1.1322 4 5 2 86.32 1.04 1.1270 -6 -5 2 86.92 1.07 1.1208 1 -6 3 86.97 1.69 1.1203 -2 -8 3 87.26 1.71 1.1173 -1 10 1 87.45 1.59 1.1153 -1 8 3 87.80 1.26 1.1118 -5 -8 1 89.72 1.09 1.0929 -3 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.