Volkovskite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110151 Rastsvetaeva R K, Andrianov V I, Genkina E A, Sokolova T N, Kashaev A A Kristallografiya 37 (1992) 326-333 Crystal structure of volkovskite KCa4B22O32(OH)10Cl*4H2O from Nepkii deposit (E. Siberia) Locality: Eastern Siberia _database_code_amcsd 0014191 CELL PARAMETERS: 6.5380 23.9600 6.5862 95.490 119.176 90.620 SPACE GROUP: P1 ATOM X Y Z OCCUPANCY ISO(B) K 0.02270 0.02300 0.03670 1.000 3.580 Ca 0.81400 0.16530 0.65910 1.000 2.700 Ca 0.71820 0.58180 0.39040 1.000 2.530 Ca 0.49720 0.90700 0.02210 1.000 2.600 Ca 0.19260 0.48900 0.34510 1.000 2.480 B 0.04200 0.61160 0.08200 1.000 2.500 B 0.99100 0.89030 0.10800 1.000 2.500 B 0.30300 0.59990 0.90300 1.000 2.500 B 0.39500 0.91710 0.42700 1.000 2.400 B 0.76700 0.47150 0.84000 1.000 2.400 B 0.40100 0.16090 0.15500 1.000 2.500 B 0.24100 0.26510 0.56200 1.000 3.300 B 0.70900 0.15440 0.05800 1.000 2.500 B 0.22100 0.61270 0.50800 1.000 2.500 B 0.16400 0.70100 0.33100 1.000 3.100 B 0.57300 0.37010 0.17200 1.000 3.000 B 0.08100 0.48060 0.74800 1.000 2.500 B 0.87200 0.80440 0.82000 1.000 3.200 B 0.49700 0.45960 0.00600 1.000 2.600 B 0.13800 0.17190 0.33600 1.000 2.800 B 0.61200 0.59050 0.80300 1.000 2.400 B 0.84000 0.28940 0.74800 1.000 3.000 B 0.31700 0.17910 0.76300 1.000 2.600 B 0.81300 0.89790 0.68600 1.000 2.700 B 0.45600 0.78270 0.98300 1.000 3.100 B 0.67800 0.45820 0.43300 1.000 2.600 B 0.08100 0.91060 0.51900 1.000 2.300 O 0.13900 0.15320 0.53900 1.000 2.500 O 0.81800 0.91520 0.90500 1.000 2.600 O 0.03600 0.91640 0.70200 1.000 2.800 O 0.04200 0.58740 0.28000 1.000 2.500 O 0.91800 0.48790 0.52300 1.000 2.600 O 0.60400 0.46780 0.61000 1.000 2.500 O 0.14100 0.60330 0.67600 1.000 2.500 O 0.83800 0.58910 0.85600 1.000 2.600 O 0.54100 0.59870 0.96900 1.000 2.600 O 0.32100 0.91560 0.59100 1.000 2.700 O 0.24500 0.16700 0.93400 1.000 2.800 O 0.03600 0.67300 0.11100 1.000 2.700 O 0.78400 0.83570 0.63900 1.000 2.900 O 0.23300 0.91430 0.19500 1.000 2.700 O 0.72300 0.47520 0.02000 1.000 2.600 O 0.35200 0.15590 0.33300 1.000 2.800 O 0.27400 0.67240 0.52300 1.000 2.900 O 0.44500 0.58290 0.57100 1.000 2.500 O 0.62200 0.92140 0.48700 1.000 2.700 O 0.51200 0.48370 0.22700 1.000 2.600 O 0.00800 0.47230 0.90800 1.000 2.500 O 0.64100 0.15870 0.22700 1.000 2.600 O 0.92000 0.90140 0.29000 1.000 2.700 O 0.25400 0.59600 0.07800 1.000 2.500 O -0.01800 0.82830 0.04900 1.000 2.900 O 0.55500 0.15790 0.83100 1.000 2.700 O 0.93600 0.14620 0.11400 1.000 2.500 O 0.13000 0.23410 0.34700 1.000 2.800 O 0.33700 0.24130 0.76300 1.000 3.200 O 0.70100 0.39820 0.39000 1.000 2.800 O 0.30700 0.48120 0.80100 1.000 2.600 O 0.46100 0.39740 0.97600 1.000 2.800 OH 0.90300 0.25420 0.91200 1.000 3.400 OH 0.53300 0.81720 0.18300 1.000 3.400 OH 0.36900 0.81200 0.79600 1.000 3.600 OH 0.57100 0.31260 0.15900 1.000 3.900 OH 0.86000 0.74730 0.77200 1.000 4.000 OH 0.24400 0.32290 0.56500 1.000 3.900 OH 0.73700 0.25980 0.53100 1.000 3.600 OH 0.86600 0.34620 0.79100 1.000 4.000 OH 0.18700 0.75810 0.37300 1.000 4.000 OH 0.46700 0.72610 0.97300 1.000 4.200 Cl 0.52880 0.02240 0.06270 1.000 3.460 Wa 0.71700 0.67780 0.38600 1.000 3.800 Wa 0.73600 0.06550 0.60100 1.000 3.700 Wa 0.27600 0.04220 0.52300 1.000 4.600 Wa 0.13800 0.39360 0.24900 1.000 3.800 H -0.01000 0.24300 0.05000 1.000 3.400 H 0.61000 0.81300 0.34000 1.000 3.400 H 0.30000 0.79500 0.63000 1.000 3.600 H 0.48000 0.28900 0.02000 1.000 3.900 H 0.93000 0.72600 0.88000 1.000 4.000 H 0.31000 0.34800 0.71000 1.000 3.900 H 0.68000 0.27600 0.40000 1.000 3.600 H 0.78000 0.35500 0.65000 1.000 4.000 H 0.09000 0.77700 0.27000 1.000 4.000 H 0.39000 0.70900 0.81000 1.000 4.200 H 0.78000 0.69900 0.53000 1.000 3.800 H 0.65000 0.68400 0.25000 1.000 3.800 H 0.58000 0.05800 0.57000 1.000 3.700 H 0.68000 0.05100 0.43000 1.000 3.700 H 0.22000 0.07700 0.63000 1.000 4.600 H 0.33000 0.02700 0.67000 1.000 4.600 H 0.21000 0.37000 0.38000 1.000 3.800 H 0.05000 0.37700 0.09000 1.000 3.800 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 21 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 4.455107638 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.43 57.17 11.8990 0 2 0 11.15 97.34 7.9326 0 3 0 14.89 25.56 5.9495 0 4 0 16.29 1.29 5.4399 -1 1 1 16.37 12.06 5.4140 0 1 1 16.42 10.95 5.3987 0 -2 1 17.04 1.57 5.2049 -1 -2 1 17.70 1.81 5.0103 1 2 0 18.06 1.35 4.9125 0 -3 1 18.57 1.78 4.7789 -1 3 0 19.73 1.30 4.5006 -1 3 1 20.18 3.97 4.4004 0 3 1 20.27 2.06 4.3812 0 -4 1 20.87 1.66 4.2574 -1 4 0 22.22 1.69 4.0014 -1 4 1 22.31 2.10 3.9849 1 4 0 22.42 1.16 3.9663 0 6 0 22.79 1.19 3.9012 0 4 1 22.90 2.84 3.8841 0 -5 1 23.85 1.21 3.7316 -1 -5 1 25.71 3.43 3.4648 0 5 1 25.82 4.01 3.4502 0 -6 1 26.21 44.70 3.3997 0 7 0 26.99 4.25 3.3033 1 0 1 27.21 2.44 3.2778 -1 0 2 27.25 2.53 3.2730 1 -2 1 27.28 100.00 3.2687 -2 0 1 28.15 1.71 3.1702 1 -3 1 28.24 3.37 3.1598 -2 2 1 28.39 3.37 3.1441 -2 -2 1 28.46 1.83 3.1359 -1 -3 2 28.80 1.11 3.1000 1 2 1 28.93 1.93 3.0861 -1 2 2 29.45 2.87 3.0326 -2 3 1 29.52 2.85 3.0263 1 -4 1 29.66 3.76 3.0119 -2 -3 1 29.70 1.29 3.0081 -1 7 0 29.85 6.06 2.9931 -1 -4 2 30.04 3.16 2.9747 0 8 0 30.39 2.45 2.9416 1 3 1 30.48 6.31 2.9329 -1 3 2 31.10 12.93 2.8753 0 -1 2 31.29 1.51 2.8583 1 -5 1 31.32 1.65 2.8560 0 0 2 31.35 2.31 2.8531 -2 -4 1 31.35 1.78 2.8530 0 -2 2 31.39 2.05 2.8501 -2 1 0 31.53 2.73 2.8379 1 7 0 31.64 1.98 2.8274 -1 -5 2 31.66 2.44 2.8261 -2 0 2 31.70 1.78 2.8226 -2 -1 2 31.82 9.64 2.8122 -2 2 0 31.89 5.85 2.8060 2 1 0 31.99 3.47 2.7977 0 1 2 32.06 3.80 2.7920 0 -3 2 32.07 10.57 2.7905 -2 1 2 32.16 3.98 2.7834 0 7 1 32.20 8.40 2.7803 -2 -2 2 32.28 4.18 2.7730 0 -8 1 32.41 1.31 2.7625 -1 4 2 33.04 3.24 2.7114 -1 8 0 33.09 2.76 2.7070 0 2 2 33.10 1.62 2.7068 -2 5 1 33.19 2.71 2.6994 0 -4 2 33.35 1.42 2.6870 -1 -8 1 33.41 2.59 2.6823 -2 -5 1 33.43 2.07 2.6808 1 -6 1 33.90 54.57 2.6442 0 9 0 34.59 2.07 2.5933 0 3 2 34.64 5.04 2.5892 1 5 1 34.71 2.20 2.5843 0 -5 2 35.42 1.57 2.5346 -2 6 1 35.77 2.08 2.5105 -2 -6 1 35.86 4.09 2.5045 1 -7 1 36.22 1.30 2.4799 -1 -7 2 37.21 1.48 2.4164 1 6 1 37.80 2.85 2.3798 0 10 0 38.54 1.36 2.3361 1 -8 1 38.59 1.06 2.3328 0 5 2 39.97 3.18 2.2554 -1 7 2 40.01 1.95 2.2536 1 7 1 41.02 1.92 2.2002 0 6 2 41.21 2.23 2.1906 0 -8 2 41.59 1.87 2.1715 1 -2 2 41.62 3.68 2.1699 2 -1 1 41.81 1.84 2.1604 -1 -9 2 41.90 2.15 2.1560 -1 10 1 42.04 3.94 2.1491 1 -3 2 42.06 16.29 2.1481 -2 -1 3 42.11 1.38 2.1460 1 10 0 42.20 2.54 2.1414 -3 1 1 42.39 5.24 2.1325 1 1 2 42.60 1.68 2.1222 -1 1 3 42.61 5.32 2.1217 -3 2 1 42.70 3.32 2.1175 -2 1 3 42.82 3.44 2.1118 0 10 1 42.85 3.65 2.1105 1 -4 2 42.85 4.11 2.1103 -2 -3 3 42.96 3.64 2.1054 0 -11 1 43.10 5.81 2.0987 -3 -2 1 43.19 1.82 2.0948 -1 -4 3 43.35 2.24 2.0871 1 2 2 43.54 2.66 2.0785 -2 2 3 43.77 1.51 2.0684 -2 -4 3 43.83 1.76 2.0656 -2 9 1 44.08 1.09 2.0542 -1 -11 1 44.10 1.95 2.0537 -3 -3 1 44.27 2.24 2.0461 -2 -9 1 44.47 2.84 2.0375 -3 4 1 44.52 1.19 2.0351 1 -10 1 44.65 6.27 2.0295 1 3 2 44.71 2.14 2.0267 -2 3 3 44.81 1.19 2.0227 -1 3 3 45.01 1.69 2.0142 -2 -5 3 45.41 4.44 1.9973 -3 -4 1 45.45 8.37 1.9958 1 -6 2 45.75 10.10 1.9832 0 12 0 45.82 1.07 1.9805 -1 -6 3 45.87 5.45 1.9782 -3 5 1 46.20 1.02 1.9651 -2 4 3 46.25 2.58 1.9630 1 4 2 46.78 1.40 1.9420 0 -10 2 47.02 1.33 1.9324 -3 -5 1 47.20 1.18 1.9258 1 -7 2 47.58 1.30 1.9113 -3 6 1 48.13 1.12 1.8905 1 5 2 48.92 1.01 1.8619 -3 -6 1 49.21 1.40 1.8514 1 -8 2 49.55 1.82 1.8397 -3 7 1 49.78 1.03 1.8317 2 -8 1 49.93 1.34 1.8265 2 6 1 50.01 3.52 1.8240 -2 6 3 50.27 3.66 1.8149 1 6 2 50.48 4.33 1.8081 -2 -8 3 51.07 3.24 1.7885 -3 -7 1 51.32 2.04 1.7804 -2 11 0 51.39 3.27 1.7781 -2 10 2 51.48 1.71 1.7750 1 -9 2 51.66 2.00 1.7695 2 10 0 51.77 1.04 1.7657 -3 8 1 51.96 3.82 1.7598 -2 -11 2 53.84 1.04 1.7029 -2 12 1 53.94 1.20 1.6999 0 14 0 54.80 2.10 1.6752 -2 8 3 55.37 3.14 1.6594 -2 -10 3 56.29 3.91 1.6343 -4 0 2 61.87 1.19 1.4996 -3 -11 1 62.44 1.21 1.4874 0 16 0 63.54 1.11 1.4642 -2 11 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.