Vistepite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070712 Hybler J, Petricek V, Jurek K, Skala R, Cisarova I The Canadian Mineralogist 35 (1997) 1283-1292 Structure determination of vistepite SnMn4B2Si4O16(OH)2: Isotypism with bustamite, revised crystallographic data and composition CELL PARAMETERS: 6.9760 7.3680 7.6680 89.890 62.950 76.920 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Sn 0.00000 0.00000 0.00000 1.000 0.581 Mn 0.81080 0.27620 -0.26340 1.000 1.031 Mn 0.30420 0.28660 -0.26230 1.000 1.015 Si 0.07420 0.32740 0.24260 1.000 0.700 Si 0.53270 0.32520 0.22160 1.000 0.762 B -0.25200 0.12200 0.43100 1.000 0.770 H 0.32000 0.02000 0.33000 1.000 7.896 O -0.14100 -0.04310 0.28850 1.000 1.044 O 0.12010 0.21740 0.03750 1.000 1.098 O 0.56500 0.25490 0.41090 1.000 1.104 O 0.72820 0.19390 0.02370 1.000 1.013 O -0.08970 0.22960 0.42470 1.000 0.892 O 0.30120 0.27500 0.26180 1.000 1.274 O -0.01600 0.54950 0.26360 1.000 1.154 O 0.51300 0.54450 0.20450 1.000 1.136 O -0.35700 0.08270 0.63970 1.000 0.994 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 11.49823479 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.42 10.09 7.1280 0 1 0 13.05 19.26 6.7828 0 0 1 14.43 39.03 6.1390 1 0 1 14.74 43.19 6.0106 1 0 0 16.71 46.66 5.3041 1 1 0 17.56 34.23 5.0498 1 1 1 19.08 35.35 4.6507 0 1 1 20.49 39.15 4.3349 1 -1 1 21.62 16.61 4.1107 -1 1 0 23.34 11.81 3.8108 1 0 2 23.93 18.30 3.7191 -1 0 1 24.43 5.15 3.6430 -1 -1 1 24.98 35.49 3.5640 0 2 0 25.63 30.22 3.4758 1 2 0 26.19 27.47 3.4029 1 1 2 26.28 41.81 3.3914 0 0 2 26.37 1.13 3.3795 2 1 1 26.87 8.51 3.3181 0 -2 1 26.93 7.11 3.3102 1 2 1 27.78 54.74 3.2109 0 -1 2 29.09 3.86 3.0695 2 0 2 29.18 1.57 3.0604 2 1 0 29.44 17.16 3.0343 -1 1 1 29.64 7.78 3.0138 0 2 1 29.73 1.41 3.0053 2 0 0 30.48 28.03 2.9328 0 1 2 30.68 1.08 2.9141 -1 -2 1 30.88 13.64 2.8957 1 -2 1 31.66 100.00 2.8263 2 -1 1 31.99 90.54 2.7974 2 2 1 33.51 14.84 2.6743 2 -1 2 33.80 16.86 2.6520 2 2 0 33.93 4.69 2.6424 1 2 2 34.31 22.47 2.6135 0 -2 2 34.98 2.71 2.5653 1 -2 2 35.30 16.31 2.5428 1 0 3 35.56 1.05 2.5249 2 2 2 35.76 11.48 2.5108 -1 -1 2 35.97 6.16 2.4970 -1 0 2 36.96 6.19 2.4321 2 0 3 37.00 3.02 2.4299 1 3 0 37.01 7.08 2.4293 -2 -1 1 37.26 2.32 2.4132 1 -1 3 37.87 21.18 2.3760 0 3 0 37.99 16.93 2.3687 -2 0 1 38.13 15.29 2.3600 2 1 3 38.48 2.44 2.3397 1 3 1 38.67 2.07 2.3286 0 -3 1 38.72 15.30 2.3254 0 2 2 39.55 2.72 2.2784 3 1 2 39.87 11.10 2.2609 0 0 3 40.12 1.82 2.2478 2 -1 3 40.21 1.74 2.2430 3 0 2 40.29 4.61 2.2387 -1 -3 1 40.34 3.49 2.2358 -2 -2 1 40.43 34.14 2.2313 0 -1 3 40.57 2.49 2.2238 3 0 1 40.66 14.58 2.2192 2 -2 1 41.11 16.85 2.1959 2 3 1 41.67 1.39 2.1674 2 -2 2 42.87 2.84 2.1097 1 -3 1 42.99 4.06 2.1041 3 2 2 43.03 4.01 2.1019 -2 1 1 43.34 2.20 2.0878 2 2 3 43.73 2.97 2.0701 3 1 0 43.91 2.71 2.0620 0 -3 2 44.06 17.03 2.0554 -2 2 0 44.26 5.54 2.0463 3 0 3 44.32 1.90 2.0436 1 3 2 44.40 1.48 2.0401 -1 3 0 44.50 19.10 2.0359 2 3 2 44.79 3.89 2.0233 3 -1 2 44.91 1.14 2.0184 0 -2 3 45.26 1.04 2.0035 3 0 0 45.59 5.84 1.9900 3 -1 1 45.59 1.67 1.9899 1 -3 2 46.01 2.17 1.9728 3 2 0 46.87 4.10 1.9384 2 -2 3 47.23 3.45 1.9245 -2 -3 1 47.74 1.57 1.9051 3 2 3 48.51 2.40 1.8767 1 0 4 48.64 2.13 1.8720 -1 -1 3 48.83 4.82 1.8652 3 3 1 48.99 5.20 1.8595 -2 0 2 49.13 4.33 1.8545 2 1 4 49.23 1.77 1.8507 -1 0 3 49.33 3.67 1.8475 0 3 2 49.61 4.93 1.8375 1 -1 4 49.82 2.60 1.8305 3 3 2 49.89 1.21 1.8278 -1 3 1 50.33 1.65 1.8129 -3 1 0 51.14 1.48 1.7862 1 4 1 51.27 11.46 1.7820 0 4 0 51.55 6.31 1.7729 -1 -2 3 51.73 4.05 1.7670 2 -3 1 51.77 1.09 1.7659 -1 -4 1 52.05 1.02 1.7571 1 -3 3 52.26 2.69 1.7505 2 4 1 52.47 30.32 1.7439 4 1 2 52.50 5.97 1.7431 3 -2 2 53.23 1.05 1.7208 -3 -2 1 53.40 1.16 1.7158 1 3 3 53.61 10.22 1.7096 -2 1 2 53.61 2.40 1.7095 3 -2 1 53.89 11.44 1.7014 2 2 4 54.08 1.91 1.6957 1 -2 4 54.08 19.54 1.6957 0 0 4 54.12 1.41 1.6947 0 -1 4 54.30 1.69 1.6895 4 1 1 54.52 2.49 1.6833 3 3 3 54.76 1.44 1.6762 0 4 1 54.95 2.84 1.6709 3 -1 4 55.00 4.71 1.6696 -2 3 0 55.34 12.19 1.6600 2 -2 4 55.52 5.67 1.6551 2 4 2 55.64 11.16 1.6517 -2 -3 2 55.82 2.38 1.6469 3 2 4 56.18 3.54 1.6372 4 0 1 56.24 10.46 1.6357 2 -3 3 56.34 2.26 1.6329 1 4 2 56.50 3.95 1.6286 4 2 3 56.55 2.94 1.6275 1 2 4 56.69 13.33 1.6236 -2 -4 1 57.29 1.11 1.6080 0 1 4 57.52 1.64 1.6023 -1 -4 2 57.55 2.83 1.6016 -1 4 0 57.58 1.55 1.6007 -1 -3 3 57.93 4.80 1.5920 3 4 1 58.03 2.62 1.5894 -3 -3 1 58.26 1.65 1.5836 -3 2 0 58.32 3.19 1.5822 -3 1 1 59.58 4.54 1.5517 4 1 0 59.64 4.27 1.5502 0 3 3 59.65 3.20 1.5500 4 1 4 59.67 1.06 1.5496 4 -1 3 60.20 1.53 1.5372 -1 2 3 60.31 5.65 1.5347 4 0 4 60.50 5.37 1.5302 4 2 0 61.00 2.07 1.5190 3 -2 4 61.56 7.76 1.5064 -2 3 1 61.73 1.52 1.5026 4 0 0 61.79 1.19 1.5014 -2 0 3 61.86 6.47 1.4998 2 -1 5 61.93 1.39 1.4983 2 1 5 61.99 5.80 1.4970 -2 -2 3 62.07 6.80 1.4953 2 4 3 62.07 1.26 1.4952 4 2 4 62.35 1.27 1.4892 3 3 4 62.49 1.13 1.4862 0 -4 3 62.54 1.40 1.4852 3 -3 2 62.57 1.36 1.4846 -1 4 1 62.87 2.62 1.4783 3 1 5 62.98 1.53 1.4760 1 -4 3 63.10 1.81 1.4734 1 5 0 63.36 1.08 1.4679 1 -1 5 63.43 1.11 1.4664 0 2 4 63.48 3.02 1.4654 2 -3 4 63.58 2.25 1.4633 -1 0 4 63.59 6.03 1.4631 0 -3 4 63.79 1.01 1.4591 3 4 3 63.89 3.54 1.4570 -2 -4 2 63.98 4.17 1.4552 4 -1 4 64.07 1.49 1.4535 -3 0 2 64.33 2.27 1.4481 2 -4 1 64.34 4.38 1.4478 2 -4 2 64.43 5.02 1.4461 4 3 0 64.49 1.36 1.4450 3 -3 3 64.57 1.23 1.4432 1 4 3 64.59 1.66 1.4429 3 -1 5 64.82 1.28 1.4383 1 3 4 64.91 3.59 1.4365 2 5 0 64.92 2.15 1.4364 2 5 1 65.22 2.39 1.4306 1 1 5 66.12 4.22 1.4131 4 -2 2 66.17 5.86 1.4122 -2 1 3 66.43 4.83 1.4073 2 2 5 66.68 1.32 1.4026 4 -2 3 66.80 4.32 1.4005 -4 1 0 66.89 3.24 1.3987 4 4 2 67.20 1.44 1.3931 -3 -3 2 67.38 4.02 1.3899 4 3 4 67.38 1.01 1.3898 -1 1 4 67.42 1.36 1.3892 4 4 1 67.93 1.75 1.3799 4 1 5 68.18 2.88 1.3754 4 0 5 68.34 2.99 1.3727 -4 -2 1 68.34 6.28 1.3725 0 -5 2 68.57 1.85 1.3686 5 2 3 68.86 6.39 1.3635 0 5 1 69.33 1.24 1.3553 5 0 3 69.39 1.00 1.3543 -1 -5 2 69.80 2.02 1.3475 3 -2 5 70.46 1.02 1.3364 1 2 5 70.81 1.40 1.3307 5 1 1 71.07 1.55 1.3265 0 4 3 71.12 2.03 1.3256 1 -4 4 71.83 1.48 1.3143 5 3 2 71.99 2.18 1.3117 5 2 4 72.10 2.07 1.3100 0 3 4 73.23 2.75 1.2926 -2 2 3 73.60 3.19 1.2869 2 3 5 73.95 1.08 1.2817 5 -1 3 74.43 4.22 1.2747 0 -5 3 75.25 5.10 1.2627 0 5 2 75.67 1.12 1.2568 2 -1 6 75.77 1.37 1.2554 -2 -2 4 75.93 1.53 1.2531 4 -3 2 76.72 2.62 1.2422 5 1 5 76.90 1.51 1.2397 4 5 2 77.04 1.60 1.2379 5 2 0 78.65 5.33 1.2166 -4 -1 2 78.77 4.36 1.2149 4 1 6 80.43 2.78 1.1941 0 -6 1 82.89 1.19 1.1647 -2 4 2 82.98 2.87 1.1637 2 -4 5 83.07 3.11 1.1627 0 4 4 83.45 2.26 1.1584 -2 -5 3 83.47 1.04 1.1581 2 5 4 85.36 2.70 1.1372 0 -1 6 86.37 1.32 1.1265 5 0 6 86.62 1.96 1.1239 4 -2 6 87.20 1.45 1.1179 -4 -4 2 87.42 1.48 1.1156 0 -2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.