Tsepinite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060833 Pekov I V, Chukanov N V, Ferraris G, Gula A, Pushcharovskii D Y, Zadov A E Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 461-480 Tsepinite-Ca,(Ca,K,Na,[])2(Ti,Nb)2(Si4O12)(OH,O)2*4H2O, a new mineral of the labuntsovite group from the Khibiny alkaline massif, Kola peninsula - novel disordered sites in the vuoriyarvite-type structure Locality: Lovchorrite mine, Hackman Valley, Yukspor Mountian, Khibiny massif, Kola Peninsula, Russia CELL PARAMETERS: 14.5300 14.2200 7.8900 90.000 117.270 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Na 0.41340 0.74010 0.00000 0.175 3.869 K 0.41340 0.74010 0.00000 0.139 3.869 Wa 0.41340 0.74010 0.00000 0.044 3.869 Ba 0.50000 0.65700 0.00000 0.087 18.160 Wa 0.50000 0.65700 0.00000 0.913 18.160 Ca 0.43200 0.00000 0.70000 0.130 11.844 Sr 0.43200 0.00000 0.70000 0.100 11.844 Wa 0.43200 0.00000 0.70000 0.650 11.844 Ba 0.50000 0.82900 0.00000 0.016 9.475 Wa 0.50000 0.82900 0.00000 0.317 9.475 Ba 0.46200 0.90700 0.85100 0.008 1.579 Wa 0.46200 0.90700 0.85100 0.159 1.579 Ba 0.46200 0.84900 0.84700 0.008 7.896 Wa 0.46200 0.84900 0.84700 0.159 7.896 Sr 0.08600 0.00000 0.33000 0.070 7.896 Wa 0.08600 0.00000 0.33000 0.930 7.896 Ca 0.25100 0.00000 0.50100 0.210 1.184 Ca 0.00000 0.00000 0.50000 0.425 1.895 Mn 0.00000 0.00000 0.50000 0.025 1.895 Fe 0.00000 0.00000 0.50000 0.005 1.895 Zn 0.00000 0.00000 0.50000 0.015 1.895 Ti 0.00000 0.75830 0.50000 0.800 2.132 Nb 0.00000 0.75830 0.50000 0.200 2.132 Ti 0.75000 0.75000 0.50000 0.800 2.606 Nb 0.75000 0.75000 0.50000 0.200 2.606 Si 0.20040 0.11140 0.79110 1.000 1.374 Si 0.68870 0.88940 0.76480 1.000 1.350 O 0.90010 0.76050 0.60200 0.390 1.816 OH 0.90010 0.76050 0.60200 0.610 1.816 O 0.91940 0.86260 0.32600 1.000 3.158 O 0.24820 0.86050 0.34200 1.000 2.921 O 0.26940 0.83340 0.70900 1.000 2.921 O 0.41900 0.83310 0.30800 1.000 3.474 O 0.34000 0.00000 0.25400 1.000 3.869 O 0.24180 0.86890 0.01400 1.000 2.921 O 0.21500 0.00000 0.76200 1.000 3.553 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 13 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 4.887708915 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.25 2.07 9.5605 1 1 0 12.45 65.88 7.1100 0 2 0 12.62 81.34 7.0131 0 0 1 12.88 2.49 6.8753 -1 1 1 13.71 53.37 6.4575 2 0 0 13.74 60.75 6.4445 -2 0 1 17.76 35.22 4.9929 0 2 1 18.56 3.88 4.7802 2 2 0 18.58 6.28 4.7749 -2 2 1 21.57 1.76 4.1203 3 1 0 21.90 1.22 4.0583 -1 3 1 22.59 16.53 3.9360 2 0 1 22.64 18.51 3.9272 -2 0 2 23.88 1.24 3.7259 -1 1 2 24.51 6.05 3.6325 -4 0 1 25.05 1.41 3.5550 0 4 0 25.11 1.06 3.5460 -3 1 2 25.34 1.45 3.5147 1 3 1 25.40 3.55 3.5065 0 0 2 25.87 5.15 3.4436 2 2 1 25.92 5.52 3.4376 -2 2 2 27.58 100.00 3.2348 -4 2 1 27.63 60.22 3.2288 4 0 0 27.68 57.49 3.2222 -4 0 2 28.14 71.88 3.1709 0 4 1 28.38 77.11 3.1449 0 2 2 28.66 36.78 3.1143 2 4 0 28.68 34.23 3.1128 -2 4 1 29.57 1.60 3.0208 3 1 1 29.97 10.38 2.9814 1 1 2 30.41 21.70 2.9398 4 2 0 30.46 21.81 2.9349 -4 2 2 31.58 2.14 2.8333 -5 1 1 33.98 14.47 2.6382 2 4 1 34.02 13.62 2.6355 -2 4 2 34.24 10.20 2.6191 2 0 2 34.30 11.69 2.6147 -2 0 3 34.99 1.08 2.5644 1 3 2 35.33 35.30 2.5407 -4 4 1 35.54 21.49 2.5260 4 0 1 35.63 23.63 2.5197 -4 0 3 35.97 49.22 2.4965 0 4 2 36.40 1.06 2.4683 -5 3 1 36.79 2.73 2.4429 -3 5 1 39.35 3.00 2.2898 -1 5 2 40.16 1.71 2.2453 0 6 1 40.63 1.41 2.2207 0 2 3 41.97 4.20 2.1525 6 0 0 42.06 4.33 2.1482 -6 0 3 42.97 2.22 2.1047 5 1 1 43.23 3.12 2.0930 3 5 1 43.95 1.20 2.0602 6 2 0 43.97 12.28 2.0591 4 4 1 44.04 1.26 2.0563 -6 2 3 44.05 12.08 2.0557 -4 4 3 44.70 1.08 2.0275 -5 5 1 45.71 1.12 1.9849 -4 6 1 46.23 9.28 1.9636 0 6 2 46.49 7.42 1.9532 0 4 3 47.01 1.13 1.9328 2 0 3 47.08 1.18 1.9304 -2 0 4 47.18 1.39 1.9262 -3 5 3 47.60 1.07 1.9105 4 6 0 47.63 1.39 1.9092 -4 6 2 47.96 1.08 1.8967 -7 3 2 47.96 1.31 1.8967 4 2 2 48.07 1.38 1.8927 -4 2 4 49.67 2.55 1.8354 6 0 1 49.80 3.56 1.8309 -6 0 4 50.23 18.31 1.8162 -8 0 2 51.41 18.36 1.7775 0 8 0 51.68 1.77 1.7688 3 5 2 52.05 1.06 1.7572 -8 0 3 52.17 10.62 1.7533 0 0 4 52.98 8.21 1.7284 4 6 1 53.05 7.89 1.7263 -4 6 3 53.16 2.91 1.7230 0 8 1 53.20 13.25 1.7218 4 4 2 53.30 14.87 1.7188 -4 4 4 53.47 2.46 1.7138 2 8 0 53.48 2.37 1.7135 -2 8 1 53.67 2.34 1.7078 -8 2 1 53.73 2.07 1.7059 -8 2 3 53.86 1.48 1.7023 0 2 4 54.00 1.36 1.6981 2 4 3 54.06 1.42 1.6964 -2 4 4 54.56 3.01 1.6819 -6 6 1 54.59 2.99 1.6812 -6 6 2 55.19 10.47 1.6643 0 6 3 56.42 2.09 1.6308 6 4 1 56.54 1.96 1.6277 -6 4 4 57.87 1.44 1.5934 6 6 0 57.94 1.60 1.5916 -6 6 3 58.54 8.77 1.5768 -8 4 1 58.60 8.70 1.5753 -8 4 3 58.64 3.52 1.5743 8 2 0 58.76 3.80 1.5713 -8 2 4 59.35 3.63 1.5571 4 8 0 59.38 3.72 1.5564 -4 8 2 59.96 3.07 1.5428 4 2 3 60.08 3.20 1.5400 -4 2 5 60.75 1.21 1.5246 2 0 4 60.82 1.57 1.5230 -2 0 5 63.22 1.04 1.4708 2 8 2 63.26 1.39 1.4700 -2 8 3 63.26 4.62 1.4699 8 4 0 63.38 4.89 1.4674 -8 4 4 64.06 7.19 1.4537 4 8 1 64.11 7.34 1.4525 -4 8 3 64.53 7.57 1.4442 4 4 3 64.64 7.70 1.4419 -4 4 5 64.66 2.23 1.4416 -8 6 2 64.94 1.90 1.4360 8 0 1 65.12 2.04 1.4325 -8 0 5 65.29 1.00 1.4292 5 1 3 65.47 1.24 1.4257 -6 8 1 65.49 1.27 1.4253 -6 8 2 66.03 1.18 1.4149 0 8 3 66.21 1.05 1.4115 -8 6 3 66.32 1.21 1.4095 0 6 4 66.59 1.07 1.4043 -8 2 5 67.17 1.06 1.3936 0 10 1 70.29 2.05 1.3391 -10 4 2 70.33 1.91 1.3386 -10 4 3 71.21 5.04 1.3242 -4 10 1 71.61 3.38 1.3178 0 10 2 71.97 2.39 1.3120 6 0 3 72.13 3.23 1.3096 4 0 4 72.16 2.44 1.3091 -6 0 6 72.27 3.02 1.3074 -4 0 6 72.44 2.66 1.3047 0 4 5 74.72 4.64 1.2704 -8 8 2 75.24 1.85 1.2630 8 0 2 75.46 1.78 1.2599 -8 0 6 76.28 2.93 1.2482 0 8 4 77.56 1.43 1.2309 6 4 3 77.74 1.43 1.2284 -6 4 6 77.76 1.15 1.2281 8 6 1 77.93 1.06 1.2260 -8 6 5 86.36 1.30 1.1266 -4 12 1 87.29 1.04 1.1170 8 8 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.