Golyshevite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061047 Rozenberg K A, Rastsvetaeva R K, Chukanov N V, Verin I A Crystallography Reports 50 (2005) 539-543 Crystal structure of golyshevite Locality: Kovdor massif, Kola Peninsula, Russia CELL PARAMETERS: 14.2450 14.2450 30.0320 90.000 90.000 120.000 SPACE GROUP: R3m ATOM X Y Z OCCUPANCY ISO(B) Na 0.10940 0.21880 0.15570 0.800 1.958 Na 0.07800 0.15600 0.17340 0.200 1.184 Na 0.56580 0.43420 0.17540 0.890 2.432 Na 0.54900 0.09800 0.17900 0.110 3.079 Ca 0.23480 0.46960 -0.04600 0.350 2.345 Na 0.23480 0.46960 -0.04600 0.350 2.345 Na 0.22800 0.11400 0.27690 0.290 1.816 Ca 0.45280 0.22640 0.05040 0.800 2.061 Na 0.49100 0.24500 0.03600 0.100 1.816 K 0.49100 0.24500 0.03600 0.100 1.816 Na 0.19100 0.59500 0.15200 0.320 3.395 Zr 0.33240 0.16620 0.16680 1.000 1.421 Ca 0.00100 0.26080 0.00010 0.983 0.940 Ce 0.00100 0.26080 0.00010 0.017 0.940 Fe 0.51950 0.48050 -0.00210 0.560 1.311 Fe 0.04920 0.52460 0.00330 0.170 1.082 Mn 0.04920 0.52460 0.00330 0.100 1.082 Nb 0.33333 0.66667 0.28900 0.180 1.737 Al 0.33333 0.66667 0.28900 0.080 1.737 Si 0.33333 0.66667 0.24640 0.500 1.263 Nb 0.33333 0.66667 0.04100 0.390 1.532 Si 0.33333 0.66667 0.09200 0.160 1.342 Si 0.52580 0.26290 0.25020 1.000 0.869 Si -0.00550 0.60380 0.09700 1.000 1.058 Si 0.20650 0.41300 0.07700 1.000 1.421 Si 0.08720 0.54360 0.25890 1.000 1.342 Si 0.05850 0.32820 0.23610 1.000 1.050 Si 0.14000 0.07000 0.08170 1.000 1.026 O 0.48160 0.24080 0.19980 1.000 2.448 O 0.25750 0.03090 0.20890 1.000 2.685 O 0.39910 0.30060 0.12630 1.000 2.290 O 0.60610 0.39390 0.25540 1.000 1.579 O 0.43220 0.21610 0.28750 1.000 1.263 O 0.41280 0.03470 0.04460 1.000 2.211 O 0.09870 0.37610 0.10760 1.000 2.053 O 0.01800 0.50900 0.11490 1.000 2.290 O 0.27340 0.54680 0.07290 1.000 3.474 O 0.18280 0.36560 0.02780 1.000 1.500 O 0.03240 0.51620 0.30610 1.000 1.816 O 0.17600 0.35200 0.21790 1.000 2.053 O 0.04710 0.30280 0.28860 1.000 1.895 O 0.38890 0.43020 0.22770 1.000 2.211 O 0.39370 0.60630 0.25350 1.000 2.685 O 0.06280 0.12560 0.07710 1.000 2.053 O 0.19120 0.09560 0.13020 1.000 2.211 O 0.22500 0.11250 0.04280 1.000 1.658 C 0.66667 0.33333 0.10800 0.550 2.053 C 0.66667 0.33333 0.08300 0.450 1.737 Oc 0.61200 0.38800 0.10800 0.550 4.185 Oc 0.61410 0.38590 0.08690 0.450 5.290 OH 0.26500 0.53000 0.32400 0.330 2.369 OH 0.21200 0.60600 0.00200 0.390 2.290 OH 0.33333 0.66667 0.14500 0.160 5.053 OH 0.33333 0.66667 0.19200 0.500 5.132 Cl 0.00000 0.00000 0.24120 0.290 2.211 Wa 0.00000 0.00000 0.26300 0.240 2.685 Wa 0.00000 0.00000 0.29300 0.230 2.290 Wa 0.00000 0.00000 0.17900 0.240 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 27 MAX. ABS. INTENSITY / VOLUME**2: 6.721557835 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.75 25.71 11.4113 1 0 1 8.83 4.51 10.0107 0 0 3 9.28 6.53 9.5322 0 1 2 12.43 49.80 7.1225 1 1 0 13.81 20.92 6.4136 1 0 4 14.66 14.06 6.0421 0 2 1 15.53 39.83 5.7056 2 0 2 16.41 5.68 5.4003 0 1 5 17.72 6.44 5.0053 0 0 6 18.62 1.71 4.7661 0 2 4 19.26 3.44 4.6076 2 1 1 20.64 44.49 4.3033 2 0 5 21.61 2.50 4.1122 3 0 0 21.70 23.25 4.0952 1 1 6 21.93 5.74 4.0522 1 0 7 22.45 16.25 3.9611 2 1 4 23.39 1.75 3.8038 0 3 3 23.39 19.58 3.8038 3 0 3 24.16 3.86 3.6832 1 2 5 24.79 9.97 3.5914 0 1 8 25.00 23.23 3.5612 2 2 0 25.29 22.17 3.5221 0 2 7 26.21 41.47 3.3995 1 3 1 26.57 5.41 3.3553 2 2 3 26.72 1.07 3.3369 0 0 9 26.72 10.67 3.3360 3 1 2 27.82 39.76 3.2068 2 0 8 28.08 7.51 3.1774 0 3 6 28.08 8.39 3.1774 3 0 6 28.27 23.02 3.1572 2 1 7 29.56 18.36 3.0217 1 1 9 29.57 11.22 3.0211 0 4 2 30.06 92.65 2.9730 3 1 5 30.57 7.48 2.9241 1 2 8 30.81 15.09 2.9017 2 2 6 31.36 100.00 2.8528 4 0 4 32.18 2.46 2.7812 2 3 2 32.64 1.70 2.7436 0 4 5 33.18 14.68 2.7002 0 2 10 33.28 11.18 2.6921 4 1 0 33.50 16.57 2.6750 1 3 7 33.85 11.43 2.6483 3 2 4 34.50 1.21 2.5997 1 4 3 34.50 2.01 2.5997 4 1 3 34.62 30.84 2.5911 0 3 9 34.62 2.88 2.5911 3 0 9 35.50 3.99 2.5288 3 1 8 35.56 4.57 2.5248 2 1 10 35.88 6.30 2.5027 0 0 12 36.54 11.91 2.4590 0 5 1 36.91 5.12 2.4350 2 2 9 37.75 8.45 2.3830 0 4 8 37.90 5.86 2.3742 3 3 0 37.95 6.24 2.3709 1 4 6 37.95 1.74 2.3709 4 1 6 38.74 12.73 2.3244 2 4 1 38.99 2.32 2.3101 3 3 3 39.10 1.26 2.3038 4 2 2 39.69 2.33 2.2707 1 0 13 39.89 4.31 2.2599 2 3 8 39.94 2.47 2.2571 1 3 10 40.84 2.89 2.2097 5 1 1 41.18 7.83 2.1920 1 5 2 41.55 9.16 2.1734 4 2 5 41.99 17.36 2.1516 4 0 10 42.13 1.07 2.1451 3 3 6 42.25 2.91 2.1388 0 5 7 42.35 8.35 2.1341 3 1 11 42.54 6.98 2.1251 5 1 4 42.79 5.79 2.1134 0 1 14 43.18 2.45 2.0952 1 4 9 43.54 3.03 2.0788 1 5 5 43.96 6.32 2.0597 3 2 10 44.04 1.34 2.0561 6 0 0 44.21 3.67 2.0485 2 4 7 44.23 2.77 2.0476 2 2 12 44.79 3.74 2.0235 4 3 1 45.01 4.77 2.0140 0 6 3 45.11 1.32 2.0099 3 4 2 45.82 15.64 1.9805 4 2 8 46.37 2.09 1.9579 4 3 4 46.61 1.43 1.9488 1 2 14 46.88 2.17 1.9381 2 5 3 46.97 8.53 1.9345 3 3 9 47.15 1.33 1.9274 1 1 15 47.49 3.23 1.9146 1 3 13 47.83 2.88 1.9019 0 6 6 47.83 7.92 1.9019 6 0 6 48.48 2.73 1.8776 1 6 1 48.78 1.34 1.8667 6 1 2 49.09 2.08 1.8556 1 0 16 49.49 3.40 1.8416 2 4 10 49.61 6.48 1.8375 2 5 6 49.61 2.09 1.8375 5 2 6 49.73 4.98 1.8336 4 3 7 49.74 3.06 1.8330 1 4 12 49.74 3.16 1.8330 4 1 12 49.98 1.50 1.8249 1 6 4 50.71 1.49 1.8001 0 3 15 50.85 1.95 1.7957 0 2 16 50.86 1.44 1.7953 6 1 5 51.03 1.58 1.7897 3 2 13 51.24 3.96 1.7830 5 1 10 51.31 19.75 1.7806 4 4 0 51.55 7.09 1.7729 4 2 11 51.92 9.44 1.7611 0 4 14 51.98 4.84 1.7593 3 5 1 52.26 1.07 1.7505 6 0 9 52.43 3.29 1.7452 2 2 15 53.18 1.30 1.7224 3 3 12 53.40 2.43 1.7157 7 0 4 53.61 4.59 1.7096 2 3 14 53.66 3.45 1.7080 6 2 1 53.94 5.08 1.6998 2 6 2 53.99 1.17 1.6983 2 0 17 54.24 3.12 1.6911 0 7 5 54.71 11.56 1.6776 4 4 6 55.04 1.52 1.6684 0 0 18 55.87 1.93 1.6456 1 3 16 55.88 7.83 1.6453 2 6 5 56.04 4.74 1.6410 2 4 13 56.66 4.82 1.6245 1 1 18 57.11 3.31 1.6127 1 7 3 57.11 1.09 1.6127 7 1 3 57.35 1.28 1.6065 4 1 15 57.48 13.22 1.6034 4 0 16 57.83 4.52 1.5943 1 6 10 58.04 4.47 1.5891 6 2 7 58.47 2.73 1.5786 4 2 14 59.05 7.79 1.5643 3 2 16 59.47 3.35 1.5543 6 3 0 59.63 2.64 1.5506 5 2 12 59.83 3.52 1.5457 5 4 4 60.03 6.12 1.5412 1 5 14 60.34 2.97 1.5340 8 0 2 60.77 3.14 1.5241 4 3 13 61.36 1.46 1.5109 2 2 18 61.38 1.09 1.5105 0 8 4 61.87 1.98 1.4996 7 2 2 62.14 2.44 1.4939 0 5 16 62.48 1.85 1.4865 6 2 10 62.58 1.17 1.4843 6 3 6 62.68 1.54 1.4823 5 4 7 62.75 6.26 1.4807 5 3 11 62.75 1.41 1.4807 0 7 11 62.89 1.50 1.4777 2 7 4 63.08 1.72 1.4737 3 4 14 63.64 3.80 1.4620 2 4 16 64.19 2.22 1.4509 4 4 12 64.25 1.03 1.4497 2 6 11 64.99 1.56 1.4349 1 3 19 65.02 1.39 1.4344 6 0 15 65.28 2.07 1.4293 1 2 20 65.43 3.28 1.4264 8 0 8 65.53 4.55 1.4245 5 5 0 66.10 3.80 1.4135 4 6 1 66.35 1.81 1.4089 6 4 2 66.49 2.83 1.4062 2 5 15 66.61 4.46 1.4039 1 8 5 67.56 2.19 1.3865 7 3 1 68.20 1.10 1.3750 3 1 20 68.39 4.86 1.3718 0 8 10 68.48 8.53 1.3701 5 5 6 68.58 1.77 1.3685 8 1 7 69.60 4.03 1.3507 0 3 21 69.64 3.97 1.3501 0 4 20 69.88 2.81 1.3460 8 2 0 70.01 3.66 1.3439 4 6 7 70.39 1.71 1.3375 2 6 14 70.60 3.77 1.3340 8 2 3 70.68 1.27 1.3328 0 2 22 70.79 1.53 1.3309 0 5 19 71.03 1.74 1.3271 2 2 21 73.03 2.39 1.2956 0 6 18 73.50 1.96 1.2885 9 1 2 74.82 2.34 1.2689 4 7 3 74.89 1.15 1.2679 0 9 9 75.14 1.12 1.2644 6 2 16 76.06 1.80 1.2513 0 0 24 76.28 1.22 1.2483 2 8 9 76.66 1.27 1.2430 1 5 20 77.03 1.51 1.2380 5 5 12 77.38 1.17 1.2332 7 2 14 78.57 1.35 1.2175 4 4 18 78.80 1.64 1.2146 9 2 1 79.03 1.61 1.2116 2 9 2 79.28 2.70 1.2084 0 10 5 80.94 1.84 1.1878 1 9 10 81.66 1.64 1.1791 0 2 25 82.09 1.15 1.1740 0 6 21 83.11 1.13 1.1622 5 1 22 83.22 1.44 1.1610 6 2 19 83.44 1.80 1.1584 2 5 21 85.00 1.05 1.1411 10 0 10 85.17 1.48 1.1392 4 2 23 85.24 1.49 1.1385 8 3 11 85.36 1.35 1.1373 3 6 18 86.34 1.79 1.1268 9 2 10 87.28 3.60 1.1171 8 2 15 87.28 1.80 1.1171 2 8 15 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.