Niocalite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070150 Mellini M Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 249-266 Niocalite revised: Twinning and crystal structure Note: cuspidine structure Locality: Oka, Quebec, Canada CELL PARAMETERS: 10.8450 10.4212 7.3669 90.000 110.113 90.000 SPACE GROUP: Pa ATOM X Y Z OCCUPANCY ISO(B) Ca 0.92530 0.65390 0.47810 1.000 0.843 Ca 0.91790 0.66510 0.97330 1.000 0.533 Ca 0.81230 0.37430 0.68250 1.000 0.811 Ca 0.82000 0.36790 0.17000 1.000 1.514 Nb 0.68230 0.13950 0.86050 1.000 0.152 Ca 0.66280 0.13250 0.35040 1.000 1.092 Ca 0.57310 -0.16170 0.55230 1.000 1.264 Ca 0.56390 -0.15420 0.04280 1.000 0.667 Si 0.36510 0.06540 0.66630 1.000 0.755 Si 0.37760 0.05410 0.24140 1.000 0.755 Si 0.61690 0.55780 0.35240 1.000 1.131 Si 0.60940 0.55930 0.79250 1.000 0.804 O 0.50600 0.00900 0.78800 1.000 1.350 O 0.50900 -0.02600 0.26900 1.000 1.535 O 0.23600 -0.00300 0.68600 1.000 1.521 O 0.24400 0.00500 0.07800 1.000 1.544 O 0.34500 0.21900 0.68000 1.000 1.789 O 0.40400 0.20100 0.22200 1.000 2.526 O 0.75500 0.50200 0.36300 1.000 1.805 O 0.74500 0.50500 0.92100 1.000 1.759 O 0.49300 0.47000 0.24000 1.000 1.875 O 0.48200 0.47500 0.77500 1.000 1.395 O 0.58700 0.70400 0.30000 1.000 2.008 O 0.57800 0.71000 0.80800 1.000 1.335 O 0.62600 0.23900 0.04200 1.000 1.736 O 0.62300 0.23700 0.62200 1.000 1.624 F 0.85300 0.24600 0.44700 1.000 3.124 O 0.84500 0.22500 0.93700 1.000 1.000 O 0.33900 0.03200 0.43600 1.000 2.140 O 0.62300 0.53300 0.57600 1.000 2.503 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 18.49645439 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.48 5.65 10.4212 0 1 0 12.15 18.38 7.2835 1 1 0 12.80 5.54 6.9176 0 0 1 15.34 8.30 5.7749 -1 1 1 15.37 1.94 5.7634 0 1 1 17.42 2.42 5.0918 2 0 0 17.73 6.21 5.0036 -2 0 1 19.13 5.85 4.6387 1 2 0 19.40 3.99 4.5749 2 1 0 19.68 2.18 4.5106 -2 1 1 19.75 3.94 4.4942 1 1 1 21.33 6.56 4.1663 -1 2 1 21.35 1.93 4.1620 0 2 1 24.73 1.47 3.6006 1 2 1 25.03 2.84 3.5580 2 0 1 25.64 1.58 3.4737 0 3 0 25.65 2.00 3.4729 -1 1 2 25.68 3.27 3.4688 -2 0 2 25.76 3.34 3.4588 0 0 2 26.38 2.03 3.3787 -3 1 1 26.47 6.61 3.3672 2 1 1 27.64 33.82 3.2276 3 1 0 28.74 1.16 3.1061 -1 3 1 28.76 1.69 3.1043 0 3 1 29.70 100.00 3.0078 -1 2 2 30.34 1.47 2.9460 -3 2 1 30.97 9.34 2.8875 -2 2 2 31.03 9.20 2.8817 0 2 2 31.11 4.00 2.8748 -3 1 2 31.17 36.77 2.8696 2 3 0 31.24 4.14 2.8634 1 1 2 31.35 1.32 2.8535 -2 3 1 31.45 42.77 2.8442 3 2 0 33.05 1.95 2.7104 -4 0 1 34.42 1.05 2.6053 0 4 0 34.58 1.12 2.5939 -3 2 2 35.25 5.95 2.5459 4 0 0 35.57 4.66 2.5240 1 4 0 35.89 5.15 2.5018 -4 0 2 36.06 4.40 2.4906 2 0 2 36.61 4.56 2.4546 -2 3 2 36.67 4.22 2.4510 0 3 2 36.95 5.60 2.4327 -4 1 2 37.03 4.89 2.4278 3 3 0 37.11 4.44 2.4224 2 1 2 37.40 1.03 2.4045 -4 2 1 39.39 3.52 2.2875 4 2 0 39.77 3.54 2.2665 -3 3 2 39.87 3.80 2.2609 1 3 2 42.30 1.13 2.1369 -4 3 1 42.50 4.68 2.1270 -1 4 2 44.36 4.32 2.0419 1 5 0 44.64 10.71 2.0301 -4 3 2 44.78 11.91 2.0241 2 3 2 45.37 6.89 1.9989 5 1 0 45.43 1.05 1.9963 -2 3 3 46.66 4.06 1.9468 -5 2 2 46.84 3.22 1.9397 3 2 2 47.96 3.62 1.8970 5 2 0 49.49 22.44 1.8417 -2 0 4 50.10 1.15 1.8209 4 4 0 50.58 9.08 1.8045 -4 4 2 50.67 1.04 1.8017 -4 3 3 50.71 9.72 1.8003 2 4 2 50.83 1.25 1.7963 -5 3 2 51.00 1.38 1.7908 3 3 2 51.13 2.22 1.7865 -2 5 2 51.15 2.40 1.7858 -6 0 2 51.17 1.97 1.7852 0 5 2 51.36 2.57 1.7790 4 0 2 51.45 1.89 1.7762 3 5 0 51.95 1.70 1.7601 -6 1 2 52.16 1.90 1.7536 4 1 2 52.70 1.80 1.7369 0 6 0 53.59 13.76 1.7100 -3 5 2 53.68 12.60 1.7076 1 5 2 54.07 1.13 1.6961 5 2 1 54.80 4.90 1.6752 6 1 0 57.11 1.10 1.6127 4 5 0 57.43 2.52 1.6046 5 4 0 57.51 3.06 1.6026 -5 1 4 57.74 3.08 1.5967 1 1 4 58.08 2.76 1.5882 -6 3 2 58.27 2.56 1.5834 4 3 2 58.78 1.48 1.5710 -1 6 2 59.58 4.64 1.5517 -4 3 4 59.71 4.64 1.5486 -5 2 4 59.73 3.90 1.5482 0 3 4 59.94 4.35 1.5433 1 2 4 60.62 2.74 1.5275 -7 1 2 60.85 2.62 1.5224 5 1 2 61.68 1.47 1.5039 -2 4 4 62.07 1.00 1.4954 -6 0 4 63.11 2.01 1.4731 1 7 0 63.12 1.97 1.4730 -6 4 2 63.30 2.03 1.4692 4 4 2 63.91 2.77 1.4567 5 5 0 64.69 1.74 1.4408 7 1 0 65.30 5.87 1.4289 2 7 0 68.40 1.22 1.3715 0 1 5 68.60 1.13 1.3681 -2 7 2 68.63 1.20 1.3675 0 7 2 69.21 1.31 1.3574 -7 1 4 69.56 1.42 1.3515 3 1 4 70.01 2.50 1.3439 -8 1 2 70.13 1.15 1.3419 7 3 0 70.25 2.47 1.3398 6 1 2 71.21 1.10 1.3242 -7 2 4 71.37 3.05 1.3216 5 6 0 71.55 1.23 1.3186 3 2 4 76.51 1.17 1.2451 -6 6 2 76.68 1.03 1.2428 4 6 2 76.74 1.18 1.2420 -8 1 4 77.13 1.03 1.2366 8 2 0 77.14 1.04 1.2365 4 1 4 80.34 3.05 1.1951 -3 2 6 82.11 1.13 1.1738 -9 2 2 82.37 1.34 1.1707 7 2 2 84.71 1.17 1.1443 -7 5 4 84.76 2.48 1.1437 8 4 0 84.78 1.37 1.1435 -6 7 2 84.94 1.25 1.1417 4 7 2 86.07 2.12 1.1297 -4 7 4 86.20 1.89 1.1283 0 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.