Tsepinite-Na Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070241 Rastsvetaeva R K, Organova N I, Rozhdestvenskaya I V, Shlyukova Z V, Chukanov N V Doklady Chemistry 371 (2000) 52-56 Crystal structure of oxonium mineral of the nenadkevichite-labuntsovite group from Khibiny massif Locality: Khibinpakhchorr mountain, Khibiny massif, Kola Peninsula, Russia CELL PARAMETERS: 14.4910 14.2060 7.8980 90.000 117.180 90.000 SPACE GROUP: Cm ATOM X Y Z OCCUPANCY ISO(B) Na 0.77000 0.00000 0.47500 0.470 5.300 Na 0.27500 0.00000 0.48500 0.620 6.200 K 0.08200 0.00000 0.30100 0.380 5.700 Wa 0.08200 0.00000 0.30100 0.220 5.700 Ba 0.89200 0.00000 0.63100 0.080 3.200 Sr 0.01500 0.00000 0.49500 0.200 4.200 Fe 0.01500 0.00000 0.49500 0.020 4.200 Ti 0.00970 0.76430 0.49150 0.700 2.300 Nb 0.00970 0.76430 0.49150 0.300 2.300 Nb 0.76240 0.74870 0.48680 0.600 3.100 Ti 0.76240 0.74870 0.48680 0.400 3.100 Si 0.21700 0.88960 0.78000 1.000 1.900 Si 0.69820 0.88970 0.74980 1.000 1.300 Si 0.81080 0.89010 0.19260 1.000 1.200 Si 0.32770 0.88960 0.22650 1.000 1.700 OH 0.50700 0.80900 0.98500 0.320 7.800 K 0.50700 0.80900 0.98500 0.030 7.800 OH -0.00800 0.82100 0.00100 0.260 9.800 OH 0.09600 0.76010 -0.01600 0.390 8.700 O 0.91640 0.75810 0.58900 1.000 1.400 O 0.93060 0.86420 0.30600 1.000 2.900 O 0.26000 0.86500 0.32600 1.000 3.900 O 0.27450 0.82600 0.69800 1.000 4.500 O 0.44020 0.82950 0.30300 1.000 2.000 O 0.36150 0.00000 0.25200 1.000 2.100 O 0.25690 0.87700 -0.00200 1.000 4.400 O 0.22410 0.00000 0.75200 1.000 3.500 O 0.11820 0.76820 0.38300 1.000 3.000 O 0.09410 0.86470 0.66000 1.000 2.600 O 0.76230 0.85930 0.63000 1.000 0.700 O 0.74090 0.83520 0.27000 1.000 1.100 O 0.59650 0.83040 0.68300 1.000 2.200 O 0.67910 0.00000 0.73400 1.000 2.000 O 0.77330 0.86440 0.97200 1.000 1.700 O 0.77900 0.00000 0.19500 1.000 3.300 Wa 0.44500 0.00000 0.69100 1.000 3.200 Wa 0.02300 0.00000 0.05700 0.370 8.700 Wa 0.55200 0.00000 0.17100 0.710 9.900 Wa -0.02100 0.00000 0.78300 0.200 7.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 13 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 12.66562803 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.26 2.10 9.5464 1 1 0 12.46 46.42 7.1030 0 2 0 12.60 100.00 7.0259 0 0 1 12.87 2.61 6.8771 -1 1 1 13.74 62.93 6.4454 2 0 0 13.76 40.20 6.4342 -2 0 1 17.76 64.60 4.9951 0 2 1 18.61 3.36 4.7686 -2 2 1 21.61 1.68 4.1129 3 1 0 22.58 5.67 3.9374 2 0 1 22.63 1.89 3.9297 -2 0 2 25.35 1.02 3.5129 0 0 2 27.64 34.27 3.2272 -4 2 1 27.68 23.74 3.2227 4 0 0 27.73 21.87 3.2171 -4 0 2 28.15 30.48 3.1696 0 4 1 28.34 27.50 3.1489 0 2 2 28.70 15.13 3.1106 2 4 0 28.71 25.07 3.1093 -2 4 1 29.58 1.43 3.0201 3 1 1 29.93 3.91 2.9857 1 1 2 30.46 7.02 2.9348 4 2 0 30.50 7.28 2.9305 -4 2 2 33.54 1.34 2.6720 -1 5 1 33.99 2.80 2.6372 2 4 1 34.03 5.69 2.6349 -2 4 2 34.20 2.42 2.6220 2 0 2 34.25 6.01 2.6183 -2 0 3 35.39 9.43 2.5361 -4 4 1 35.56 8.35 2.5246 4 0 1 35.64 10.63 2.5193 -4 0 3 35.96 23.57 2.4975 0 4 2 39.35 1.48 2.2896 -1 5 2 40.19 2.31 2.2437 0 6 1 42.06 2.15 2.1485 6 0 0 42.13 1.36 2.1447 -6 0 3 43.01 1.10 2.1031 5 1 1 43.25 1.62 2.0917 3 5 1 44.01 3.89 2.0577 4 4 1 44.03 1.48 2.0565 6 2 0 44.07 4.52 2.0548 -4 4 3 45.88 1.84 1.9777 -6 4 1 46.24 4.36 1.9634 0 6 2 46.45 5.35 1.9551 0 4 3 47.00 1.17 1.9335 -2 0 4 47.95 1.75 1.8972 4 2 2 48.04 1.85 1.8937 -4 2 4 49.72 1.64 1.8336 6 0 1 49.84 1.51 1.8298 -6 0 4 50.38 6.95 1.8114 -8 0 2 51.46 7.03 1.7758 0 8 0 51.68 1.37 1.7689 3 5 2 52.07 3.83 1.7565 0 0 4 53.02 3.24 1.7270 4 6 1 53.08 2.79 1.7253 -4 6 3 53.20 5.33 1.7218 4 4 2 53.20 1.83 1.7216 0 8 1 53.28 6.51 1.7193 -4 4 4 53.53 1.54 1.7120 2 8 0 53.81 1.94 1.7037 -8 2 1 53.86 1.72 1.7020 -8 2 3 54.69 1.20 1.6783 -6 6 2 55.16 4.04 1.6650 0 6 3 58.68 3.27 1.5733 -8 4 1 58.73 3.27 1.5720 -8 4 3 58.76 1.78 1.5714 8 2 0 58.87 2.23 1.5688 -8 2 4 59.43 1.51 1.5553 4 8 0 59.46 1.61 1.5546 -4 8 2 59.91 1.78 1.5440 4 2 3 60.01 2.02 1.5415 -4 2 5 63.39 2.24 1.4674 8 4 0 63.49 2.18 1.4653 -8 4 4 64.12 2.60 1.4525 4 8 1 64.17 2.77 1.4514 -4 8 3 64.49 3.30 1.4450 4 4 3 64.59 3.39 1.4430 -4 4 5 64.81 1.46 1.4386 -8 6 2 71.31 1.95 1.3226 -4 10 1 71.66 1.34 1.3170 0 10 2 72.03 1.50 1.3110 4 0 4 72.15 1.43 1.3091 -4 0 6 72.32 1.04 1.3066 0 4 5 74.88 1.85 1.2681 -8 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.