Barytolamprophyllite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120087 Sokolova E, Camara F The Canadian Mineralogist 46 (2008) 403-412 From structure topology to chemical composition. III. Titanium silicates: The crystal chemistry of barytolamprophyllite Locality: Mt. Yuksporr, Khibina alkaline massif, Kola Peninsula, Russia _database_code_amcsd 0006183 CELL PARAMETERS: 19.8700 7.0860 5.3920 90.000 96.560 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.28240 0.00000 0.26285 0.440 0.813 K 0.28240 0.00000 0.26285 0.305 0.813 Sr 0.28240 0.00000 0.26285 0.165 0.813 Ca 0.28240 0.00000 0.26285 0.025 0.813 Ti 0.14603 0.00000 0.70520 0.985 0.576 Al 0.14603 0.00000 0.70520 0.015 0.576 Ti 0.00000 0.50000 0.00000 0.940 1.998 Fe 0.00000 0.50000 0.00000 0.050 1.998 Nb 0.00000 0.50000 0.00000 0.010 1.998 Na 0.00000 0.00000 0.00000 1.000 1.508 Na 0.00000 0.26016 0.50000 0.545 1.311 Fe 0.00000 0.26016 0.50000 0.150 1.311 Mn 0.00000 0.26016 0.50000 0.140 1.311 Ca 0.00000 0.26016 0.50000 0.040 1.311 Mg 0.00000 0.26016 0.50000 0.025 1.311 Si 0.13981 0.28427 0.20240 1.000 0.624 O 0.44479 0.00000 0.27380 1.000 1.982 O 0.17024 0.18830 0.46390 1.000 0.987 O 0.17064 0.18740 0.96860 1.000 0.940 O 0.17175 0.50000 0.21700 1.000 0.813 O 0.05813 0.29500 0.17050 1.000 1.011 O 0.06071 0.00000 0.66720 1.000 1.595 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 18 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 13.60993003 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.96 17.63 9.8700 2 0 0 13.28 4.96 6.6693 1 1 0 18.40 2.17 4.8217 3 1 0 19.74 1.53 4.4975 2 0 1 20.87 1.16 4.2574 -1 1 1 21.68 15.81 4.0998 1 1 1 23.07 4.42 3.8556 -4 0 1 23.77 48.01 3.7429 -3 1 1 25.13 6.89 3.5430 0 2 0 25.83 28.82 3.4488 5 1 0 25.88 39.65 3.4433 3 1 1 25.91 5.56 3.4390 4 0 1 26.73 11.76 3.3347 2 2 0 27.10 40.71 3.2900 6 0 0 29.37 34.67 3.0412 -5 1 1 30.21 9.98 2.9582 -6 0 1 31.04 20.87 2.8813 -2 2 1 31.07 17.73 2.8781 4 2 0 32.16 100.00 2.7831 2 2 1 32.24 25.80 2.7764 5 1 1 33.46 10.34 2.6783 0 0 2 33.56 9.70 2.6707 6 0 1 33.66 33.50 2.6629 -2 0 2 34.22 25.19 2.6201 7 1 0 34.38 26.10 2.6088 -4 2 1 36.29 6.85 2.4756 -4 0 2 36.41 3.60 2.4677 4 2 1 36.54 5.14 2.4589 -7 1 1 36.64 1.22 2.4529 1 1 2 37.00 2.88 2.4293 -3 1 2 37.30 3.90 2.4109 6 2 0 38.38 6.15 2.3453 -8 0 1 39.85 8.49 2.2624 3 1 2 40.53 5.68 2.2257 -5 1 2 40.58 3.35 2.2231 3 3 0 40.95 6.30 2.2040 -6 0 2 41.84 2.95 2.1592 -1 3 1 42.03 4.40 2.1498 8 0 1 42.28 6.26 2.1378 1 3 1 42.30 19.75 2.1366 0 2 2 42.38 12.37 2.1327 6 2 1 42.47 15.60 2.1287 -2 2 2 43.18 11.84 2.0952 9 1 0 43.47 3.48 2.0819 -3 3 1 44.18 6.83 2.0499 2 2 2 44.65 5.25 2.0293 -4 2 2 44.69 2.15 2.0278 -9 1 1 44.71 17.84 2.0269 5 3 0 44.74 1.39 2.0258 3 3 1 44.87 7.34 2.0200 5 1 2 45.80 13.24 1.9810 -7 1 2 45.98 1.34 1.9740 10 0 0 46.08 4.00 1.9698 6 0 2 46.43 4.48 1.9556 -8 2 1 46.99 4.13 1.9337 -5 3 1 47.22 2.09 1.9250 -10 0 1 48.34 4.27 1.8828 9 1 1 48.97 6.92 1.8600 5 3 1 49.60 1.67 1.8379 8 2 1 50.40 7.85 1.8107 7 3 0 51.11 1.09 1.7872 10 0 1 51.30 6.73 1.7808 7 1 2 51.59 21.46 1.7715 0 4 0 52.12 1.46 1.7549 -7 3 1 52.19 4.63 1.7527 1 3 2 52.43 1.98 1.7453 -9 1 2 52.47 4.36 1.7440 -3 3 2 53.55 4.82 1.7112 -11 1 1 53.65 2.79 1.7084 1 1 3 54.16 1.64 1.6934 -8 2 2 54.51 5.12 1.6835 -10 0 2 55.54 7.33 1.6545 -5 1 3 55.69 1.55 1.6504 -6 0 3 56.43 4.90 1.6306 3 1 3 56.80 1.05 1.6208 4 0 3 57.33 1.53 1.6072 9 3 0 57.48 3.37 1.6032 11 1 1 57.61 8.51 1.6000 -2 2 3 57.78 15.41 1.5957 10 2 1 57.83 12.76 1.5945 0 2 3 58.71 3.74 1.5725 5 3 2 59.24 1.92 1.5598 6 4 0 59.47 1.37 1.5543 -7 1 3 59.49 5.68 1.5539 -7 3 2 60.13 1.06 1.5388 -11 1 2 60.42 1.17 1.5321 -8 0 3 60.74 1.40 1.5247 5 1 3 60.96 2.02 1.5198 -6 4 1 61.89 1.42 1.4992 6 0 3 62.04 3.08 1.4960 -6 2 3 62.22 1.14 1.4920 12 2 0 62.83 1.09 1.4791 -12 0 2 62.90 4.57 1.4775 0 4 2 62.91 19.02 1.4774 -12 2 1 62.96 2.33 1.4763 6 4 1 63.02 11.88 1.4749 -2 4 2 63.07 1.59 1.4739 4 2 3 63.08 1.09 1.4738 -13 1 1 64.16 8.80 1.4515 7 3 2 64.34 1.28 1.4480 2 4 2 65.14 6.71 1.4321 -9 3 2 65.24 2.12 1.4301 -1 3 3 66.10 1.60 1.4136 -8 4 1 66.29 4.96 1.4100 14 0 0 66.81 2.54 1.4003 12 2 1 67.28 1.22 1.3916 4 4 2 67.89 1.77 1.3806 -5 3 3 68.65 1.07 1.3671 8 4 1 68.68 1.28 1.3666 3 3 3 69.62 1.78 1.3504 11 3 1 69.70 2.35 1.3492 -3 5 1 69.78 4.61 1.3477 -2 0 4 70.29 4.19 1.3392 0 0 4 70.52 7.29 1.3353 12 0 2 70.63 3.78 1.3335 3 5 1 70.76 1.39 1.3315 -4 0 4 70.86 1.48 1.3299 9 3 2 71.39 1.76 1.3213 -11 1 3 72.02 1.26 1.3112 -11 3 2 72.04 2.72 1.3109 -14 0 2 72.10 1.40 1.3101 14 2 0 72.27 1.06 1.3073 -10 2 3 72.27 1.07 1.3073 2 0 4 72.34 3.28 1.3062 -5 5 1 73.32 2.09 1.2912 9 1 3 73.88 1.88 1.2828 5 5 1 74.00 1.97 1.2810 8 2 3 74.73 2.41 1.2703 -13 3 1 75.01 1.20 1.2663 7 5 0 76.45 1.03 1.2459 1 5 2 76.68 1.80 1.2428 -3 5 2 78.35 1.68 1.2204 -10 4 2 78.48 1.47 1.2186 3 5 2 78.66 1.08 1.2164 13 3 1 79.29 1.98 1.2083 5 1 4 79.30 1.87 1.2082 -12 2 3 80.73 1.80 1.1903 9 5 0 80.86 1.70 1.1888 -9 1 4 81.35 2.25 1.1828 10 2 3 81.50 1.92 1.1810 0 6 0 82.21 1.88 1.1726 -16 0 2 82.59 1.35 1.1682 -7 5 2 82.85 1.29 1.1651 16 2 0 84.23 1.36 1.1496 15 3 0 84.46 1.79 1.1470 9 5 1 84.71 1.19 1.1442 7 1 4 84.89 2.23 1.1423 2 6 1 86.11 1.52 1.1292 -4 6 1 86.22 1.27 1.1280 3 3 4 87.33 1.77 1.1166 -7 3 4 87.56 2.80 1.1142 -14 2 3 87.60 1.96 1.1138 16 2 1 87.76 1.02 1.1122 11 5 0 88.51 1.81 1.1047 -11 5 1 88.66 4.24 1.1032 14 4 0 89.96 1.43 1.0907 12 2 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.