Fluorcalciobritholite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141089 Pekov I V, Pasero M, Yaskovskaya A N, Chukanov N V, Pushcharovsky D Y, Merlino S, Zubkova N V, Kononkova N N, Men'shikov Y P, Zadov A E European Journal of Mineralogy 19 (2007) 95-103 Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and crystal chemistry Locality: Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia _database_code_amcsd 0007198 CELL PARAMETERS: 9.5400 9.5400 6.9890 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.33333 0.66667 0.00060 0.654 2.456 Ce 0.33333 0.66667 0.00060 0.161 2.456 La 0.33333 0.66667 0.00060 0.094 2.456 Nd 0.33333 0.66667 0.00060 0.045 2.456 Y 0.33333 0.66667 0.00060 0.031 2.456 Pr 0.33333 0.66667 0.00060 0.014 2.456 Ca 0.24870 0.01070 0.25000 0.566 2.606 Ce 0.24870 0.01070 0.25000 0.203 2.606 La 0.24870 0.01070 0.25000 0.118 2.606 Nd 0.24870 0.01070 0.25000 0.057 2.606 Y 0.24870 0.01070 0.25000 0.039 2.606 Pr 0.24870 0.01070 0.25000 0.017 2.606 Si 0.37180 0.40010 0.25000 0.650 2.061 P 0.37180 0.40010 0.25000 0.350 2.061 O 0.46770 0.59060 0.25000 1.000 3.395 O 0.48660 0.32550 0.25000 1.000 2.921 O 0.25630 0.34320 0.43100 1.000 4.264 F 0.00000 0.00000 0.25000 1.000 7.264 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 34.37783090 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 21.51 19.31 4.1309 2 0 0 22.57 6.97 3.9399 1 1 1 25.49 21.95 3.4945 0 0 2 27.72 26.10 3.2184 1 0 2 28.59 6.76 3.1227 2 1 0 28.59 20.28 3.1227 1 2 0 31.38 34.86 2.8511 2 1 1 31.38 65.14 2.8511 1 2 1 31.74 51.23 2.8190 1 1 2 32.51 40.92 2.7540 3 0 0 33.59 7.28 2.6679 2 0 2 39.32 2.65 2.2914 1 3 0 39.32 7.01 2.2914 3 1 0 39.94 1.86 2.2572 2 2 1 41.76 2.42 2.1630 3 0 2 43.22 7.34 2.0933 1 1 3 43.83 3.12 2.0655 4 0 0 44.66 1.65 2.0292 2 0 3 46.08 24.66 1.9699 2 2 2 47.45 4.19 1.9162 1 3 2 47.45 9.38 1.9162 3 1 2 48.00 1.03 1.8954 2 3 0 48.00 2.85 1.8954 3 2 0 48.77 8.92 1.8673 2 1 3 48.77 18.31 1.8673 1 2 3 49.85 9.00 1.8293 2 3 1 49.85 6.02 1.8293 3 2 1 50.63 5.61 1.8029 1 4 0 50.63 9.01 1.8029 4 1 0 51.39 17.89 1.7781 4 0 2 52.36 10.98 1.7472 0 0 4 55.12 1.60 1.6661 2 3 2 57.25 1.08 1.6092 2 0 4 59.17 2.84 1.5613 4 2 0 59.64 4.50 1.5504 3 3 1 60.74 2.62 1.5248 2 1 4 60.74 2.39 1.5248 1 2 4 62.14 7.10 1.4938 5 0 2 62.60 1.25 1.4839 1 5 0 63.00 5.78 1.4754 3 0 4 63.25 4.01 1.4703 2 3 3 63.25 1.07 1.4703 3 2 3 64.16 3.47 1.4515 1 5 1 64.37 3.56 1.4472 3 3 2 70.65 1.52 1.3333 3 4 1 71.28 1.07 1.3230 2 5 0 71.89 1.09 1.3133 3 3 3 72.75 1.10 1.2999 2 5 1 72.75 1.35 1.2999 5 2 1 73.99 1.77 1.2811 6 0 2 74.35 2.50 1.2758 1 2 5 74.35 1.50 1.2758 2 1 5 75.45 1.04 1.2599 1 6 0 75.82 1.96 1.2547 1 4 4 75.82 3.89 1.2547 4 1 4 76.04 1.83 1.2516 1 5 3 77.08 3.76 1.2373 5 2 2 77.08 1.03 1.2373 2 5 2 82.14 1.06 1.1734 3 4 3 82.93 1.23 1.1642 4 2 4 82.93 1.08 1.1642 2 4 4 85.89 2.04 1.1316 1 1 6 85.94 1.07 1.1310 1 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.