Lovozerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120155 Yamnova N A, Egorov-Tismenko Y K, Pekov I V Crystallography Reports 46 (2001) 937-941 Refined crystal structure of lovozerite Na2CaZr[Si6O12(OH,O)6]*H2O Locality: Kola Peninsula, Russia _database_code_amcsd 0012374 CELL PARAMETERS: 10.1680 10.1680 13.0310 90.000 90.000 120.000 SPACE GROUP: R3 ATOM X Y Z OCCUPANCY ISO(B) Na 0.34100 0.17200 0.16600 0.730 4.300 K 0.34100 0.17200 0.16600 0.030 4.300 Ca 0.00000 0.00000 0.74200 0.350 6.200 Na 0.00000 0.00000 0.74200 0.200 6.200 Mn 0.00000 0.00000 0.74200 0.080 6.200 Zr 0.00000 0.00000 0.00000 0.800 2.900 Fe 0.00000 0.00000 0.00000 0.140 2.900 Ti 0.00000 0.00000 0.00000 0.030 2.900 Hf 0.00000 0.00000 0.00000 0.030 2.900 Si 0.48290 0.51720 0.22080 1.000 3.300 Si 0.18350 0.36960 0.09520 1.000 2.200 O 0.44700 0.22400 -0.00300 1.000 7.300 O 0.55500 0.42400 0.24800 0.400 6.500 OH 0.55500 0.42400 0.24800 0.600 6.500 OH 0.20800 0.10400 0.32500 1.000 3.100 O 0.33600 0.43300 0.15900 1.000 8.800 O 0.10100 0.18400 0.09100 1.000 3.100 O 0.60100 0.66700 0.16100 1.000 4.900 Wa 0.00200 0.46200 0.00600 0.300 4.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 11.46673688 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.13 22.91 7.2961 1 0 1 16.93 92.89 5.2376 0 1 2 17.44 1.69 5.0840 1 1 0 20.45 5.51 4.3437 0 0 3 21.30 19.28 4.1712 0 2 1 24.40 25.92 3.6480 2 0 2 27.00 34.64 3.3025 1 1 3 27.00 35.31 3.3025 2 -1 3 27.66 49.26 3.2247 3 -1 1 27.66 50.74 3.2247 2 1 1 29.23 1.31 3.0554 1 0 4 30.15 14.07 2.9639 -1 3 2 30.15 15.39 2.9639 1 2 2 34.24 52.64 2.6188 0 2 4 35.31 45.54 2.5420 2 2 0 36.96 1.90 2.4320 0 3 3 36.96 2.76 2.4320 3 0 3 37.47 2.42 2.4005 -1 4 1 40.21 7.90 2.2427 2 0 5 41.58 1.71 2.1718 0 0 6 43.39 7.67 2.0856 0 4 2 44.14 3.90 2.0520 -1 3 5 44.14 4.28 2.0520 1 2 5 46.47 2.37 1.9541 -1 4 4 46.47 2.22 1.9541 1 3 4 47.10 2.93 1.9296 -2 5 2 47.10 3.46 1.9296 2 3 2 50.00 26.79 1.8240 4 0 4 50.08 2.19 1.8213 1 0 7 52.04 5.17 1.7573 -1 5 3 52.04 5.71 1.7573 1 4 3 52.41 3.52 1.7459 0 3 6 52.43 6.92 1.7453 0 5 1 53.44 1.71 1.7146 0 2 7 53.93 2.08 1.7001 5 0 2 54.12 3.85 1.6947 3 3 0 54.57 2.97 1.6818 0 4 5 56.65 4.02 1.6247 3 -1 7 56.65 4.03 1.6247 2 1 7 57.74 2.07 1.5967 -2 5 5 57.74 2.24 1.5967 2 3 5 58.46 2.98 1.5788 6 -3 3 58.46 2.90 1.5788 3 3 3 58.82 1.51 1.5700 6 -1 1 58.82 1.69 1.5700 5 1 1 60.61 4.30 1.5277 2 0 8 62.69 3.45 1.4820 -2 6 4 62.69 3.83 1.4820 2 4 4 63.37 2.79 1.4676 6 0 0 64.34 1.28 1.4479 0 0 9 64.78 1.48 1.4391 4 1 6 64.78 1.52 1.4391 5 -1 6 64.80 2.30 1.4388 4 3 1 64.80 2.35 1.4388 7 -3 1 68.55 2.52 1.3690 3 2 7 68.55 2.57 1.3690 5 -2 7 70.17 3.40 1.3412 7 -2 3 70.17 3.38 1.3412 5 2 3 72.14 2.90 1.3094 0 4 8 74.68 3.23 1.2710 4 4 0 75.58 1.17 1.2581 4 -2 9 75.58 1.12 1.2581 2 2 9 80.45 1.00 1.1937 7 -1 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.