Skorpionite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060938 Krause W, Effenberger H, Bernhardt H-J, Medenbach O European Journal of Mineralogy 20 (2008) 271-280 Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia: description and crystal structure Locality: near Rosh Pinah mine, Luderitz district, Karas region, Namibia, Africa CELL PARAMETERS: 19.0400 9.3190 6.5250 90.000 92.730 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Zn 0.17069 0.04391 0.41120 1.000 1.225 Ca 0.00000 0.59791 0.25000 1.000 0.967 Ca 0.16419 0.33537 0.12171 1.000 0.958 P 0.17804 0.66662 0.15062 1.000 0.835 C 0.00000 0.28180 0.25000 1.000 1.074 O 0.21612 0.76680 0.30300 1.000 1.263 O 0.22778 0.55013 0.06900 1.000 1.216 O 0.12142 0.58406 0.26290 1.000 1.169 O 0.14517 0.74825 -0.03520 1.000 1.184 O 0.00000 0.14635 0.25000 1.000 1.879 O 0.02937 0.35493 0.10680 1.000 1.240 Oh 0.13476 0.07351 0.12470 1.000 1.034 Ow 0.00000 0.85000 0.20100 0.250 2.606 Ow 0.01100 0.84800 0.21600 0.250 2.369 H 0.09280 0.08200 0.13400 1.000 0.158 H 0.00000 0.92400 0.25000 1.000 1.421 H 0.00200 0.85100 0.06600 0.500 1.421 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 17 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 14.22096393 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.30 100.00 9.5092 2 0 0 10.57 2.29 8.3684 1 1 0 16.92 34.13 5.2416 3 1 0 17.07 6.28 5.1951 -1 1 1 18.66 4.66 4.7546 4 0 0 19.05 1.45 4.6595 0 2 0 21.23 2.24 4.1842 2 2 0 21.33 1.93 4.1655 -3 1 1 23.47 21.33 3.7905 0 2 1 25.05 3.99 3.5551 -2 2 1 25.54 8.42 3.4880 2 2 1 26.79 2.23 3.3279 4 2 0 27.37 1.20 3.2588 0 0 2 28.15 96.35 3.1697 6 0 0 28.27 5.45 3.1570 -5 1 1 28.53 2.58 3.1288 -2 0 2 29.13 21.19 3.0657 1 3 0 29.20 14.75 3.0584 -1 1 2 29.39 13.37 3.0387 2 0 2 29.63 63.38 3.0154 1 1 2 29.73 4.50 3.0047 -4 2 1 32.09 44.41 2.7895 3 3 0 32.17 1.52 2.7824 -1 3 1 32.37 6.05 2.7660 1 3 1 32.56 2.76 2.7498 -4 0 2 32.93 10.73 2.7199 3 1 2 33.56 2.80 2.6705 0 2 2 34.09 4.37 2.6302 4 0 2 34.53 21.73 2.5975 -2 2 2 34.71 22.57 2.5841 -3 3 1 35.26 1.14 2.5453 2 2 2 36.44 2.81 2.4654 -6 2 1 36.52 3.23 2.4607 -7 1 1 36.74 8.01 2.4462 -5 1 2 37.38 8.69 2.4060 5 3 0 37.73 2.08 2.3843 7 1 1 38.00 15.81 2.3682 -4 2 2 38.46 2.63 2.3409 5 1 2 39.34 2.45 2.2905 4 2 2 39.84 6.46 2.2628 2 4 0 40.23 2.80 2.2415 -1 3 2 41.15 15.81 2.1938 0 4 1 42.43 1.20 2.1302 2 4 1 42.78 9.23 2.1136 -1 1 3 43.44 5.75 2.0834 -7 1 2 43.94 5.22 2.0608 9 1 0 44.29 4.22 2.0451 7 3 0 44.42 7.69 2.0396 -8 2 1 44.51 1.89 2.0355 -3 1 3 45.24 4.10 2.0042 -4 4 1 45.53 22.45 1.9924 7 1 2 45.54 4.46 1.9917 -9 1 1 45.60 1.92 1.9893 8 2 1 45.84 3.19 1.9796 3 1 3 46.71 3.67 1.9449 -2 2 3 46.85 1.24 1.9392 9 1 1 47.05 3.76 1.9316 7 3 1 47.56 3.16 1.9118 2 2 3 48.00 2.81 1.8952 0 4 2 48.46 2.51 1.8784 8 0 2 48.49 1.01 1.8772 6 4 0 48.73 3.27 1.8686 -2 4 2 49.29 7.06 1.8489 2 4 2 50.19 3.66 1.8176 -6 4 1 50.39 10.70 1.8111 -8 2 2 51.01 1.30 1.7905 6 4 1 51.14 5.56 1.7863 -1 5 1 51.27 4.35 1.7819 1 5 1 51.36 2.22 1.7790 -1 3 3 51.41 2.04 1.7775 -4 4 2 51.76 4.18 1.7662 1 3 3 51.93 1.87 1.7609 -7 3 2 52.36 12.80 1.7472 9 3 0 52.47 3.43 1.7440 4 4 2 52.53 1.43 1.7422 8 2 2 52.91 1.02 1.7303 -3 5 1 53.72 1.28 1.7063 9 1 2 53.78 5.39 1.7045 -9 3 1 54.04 1.07 1.6969 3 3 3 54.58 3.31 1.6813 10 2 1 56.34 1.55 1.6330 7 1 3 56.48 1.82 1.6294 0 0 4 56.48 1.01 1.6293 -5 5 1 56.63 1.45 1.6253 -8 4 1 57.01 3.02 1.6153 -1 5 2 57.10 2.19 1.6130 5 5 1 57.24 2.56 1.6095 10 0 2 57.33 2.32 1.6072 6 4 2 57.39 3.58 1.6057 -1 1 4 57.87 4.81 1.5934 2 0 4 58.05 3.47 1.5889 0 4 3 58.21 3.83 1.5849 12 0 0 58.47 6.28 1.5785 -10 2 2 58.57 1.92 1.5761 -2 4 3 59.05 3.81 1.5644 -4 0 4 59.30 1.88 1.5584 2 4 3 59.67 1.76 1.5496 -8 2 3 60.21 4.95 1.5370 -11 1 2 60.89 3.78 1.5213 10 2 2 61.11 1.33 1.5165 -7 3 3 61.37 2.64 1.5107 11 3 0 61.63 3.13 1.5050 -7 5 1 62.25 1.27 1.4914 4 4 3 62.33 1.86 1.4896 2 6 1 62.46 1.10 1.4870 7 5 1 63.59 2.16 1.4631 7 3 3 63.63 2.77 1.4623 8 4 2 63.66 1.40 1.4616 9 1 3 64.31 2.53 1.4486 -10 4 1 64.51 2.30 1.4445 -4 6 1 64.57 4.82 1.4434 -1 3 4 65.46 1.01 1.4258 10 4 1 65.67 1.37 1.4219 6 0 4 65.76 3.84 1.4200 -3 3 4 66.22 1.50 1.4112 -7 1 4 66.77 2.56 1.4010 6 4 3 67.13 1.40 1.3943 3 3 4 67.30 2.06 1.3912 -2 6 2 67.38 2.12 1.3898 -3 5 3 68.40 1.15 1.3716 3 5 3 69.18 1.23 1.3580 9 5 1 69.95 2.90 1.3448 -13 1 2 70.23 1.47 1.3402 12 2 2 70.40 1.72 1.3374 4 6 2 70.81 2.40 1.3306 5 3 4 71.78 3.81 1.3151 8 0 4 72.56 1.51 1.3029 3 7 0 72.60 1.75 1.3021 -1 7 1 72.73 1.49 1.3003 8 6 0 72.73 1.25 1.3002 8 4 3 72.83 2.38 1.2987 13 1 2 72.92 1.50 1.2972 -7 3 4 73.10 1.32 1.2946 -12 4 1 74.83 1.35 1.2688 8 6 1 74.92 2.95 1.2676 -10 0 4 75.08 1.00 1.2652 -11 3 3 75.20 2.71 1.2635 0 6 3 77.16 2.40 1.2362 11 5 1 78.48 1.32 1.2187 -8 6 2 78.71 2.38 1.2158 -9 3 4 80.80 1.99 1.1894 -10 6 1 81.17 1.18 1.1850 -6 6 3 82.10 1.58 1.1739 15 3 0 85.35 1.56 1.1373 2 8 1 86.48 1.38 1.1253 16 2 1 86.59 1.11 1.1242 0 6 4 87.22 1.03 1.1177 10 6 2 88.68 1.01 1.1030 12 4 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.