Spurrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070632 Grice J D The Canadian Mineralogist 43 (2005) 1489-1500 The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals Locality: Cornet Hill, Apuseni Mountains, Romania CELL PARAMETERS: 10.4939 6.7313 14.1930 90.000 101.260 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Ca 0.14005 0.66295 0.07182 1.000 0.797 Ca 0.03225 0.24170 0.61152 1.000 0.900 Ca 0.23999 0.05991 0.45584 1.000 0.726 Ca 0.04556 0.99104 0.83065 1.000 0.679 Ca 0.13164 0.50700 0.82619 1.000 0.663 Si 0.13420 0.22410 0.05667 1.000 0.513 Si 0.02636 0.74940 0.60459 1.000 0.490 C 0.18910 0.69900 0.28040 1.000 0.711 O 0.12350 0.24165 0.94040 1.000 0.845 O 0.14010 0.99730 0.09700 1.000 0.766 O 0.00790 0.33720 0.08360 1.000 0.876 O 0.26710 0.33260 0.10780 1.000 1.121 O 0.88430 0.15300 0.46620 1.000 0.837 O 0.89070 0.43050 0.33460 1.000 0.829 O 0.02270 0.07740 0.33000 1.000 0.861 O 0.10060 0.33830 0.46900 1.000 0.797 O 0.28580 0.69660 0.23540 1.000 0.876 O 0.07130 0.68990 0.23040 1.000 0.892 O 0.20880 0.71830 0.37100 1.000 1.066 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 6 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 3.743255884 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.35 5.17 13.9198 0 0 1 12.72 69.77 6.9599 0 0 2 14.62 42.64 6.0599 0 1 1 16.33 4.07 5.4276 -1 1 1 17.16 25.33 5.1659 -2 0 1 17.23 22.05 5.1460 2 0 0 17.60 12.26 5.0381 1 1 1 19.13 20.76 4.6399 0 0 3 19.18 8.31 4.6273 -1 1 2 19.52 4.03 4.5466 2 0 1 21.33 1.49 4.1664 1 1 2 21.69 2.00 4.0981 -2 1 1 21.74 2.15 4.0882 2 1 0 23.17 33.29 3.8389 -2 0 3 23.28 30.16 3.8203 0 1 3 23.42 18.95 3.7984 2 0 2 23.47 16.21 3.7912 -2 1 2 23.61 12.12 3.7677 2 1 1 25.60 38.38 3.4800 0 0 4 26.15 8.58 3.4072 1 1 3 26.48 17.07 3.3656 0 2 0 26.73 3.85 3.3347 -2 1 3 26.95 5.51 3.3081 2 1 2 27.26 2.94 3.2714 0 2 1 27.89 36.96 3.1989 1 2 0 28.01 5.52 3.1858 -2 0 4 28.24 1.93 3.1598 -1 2 1 28.68 22.02 3.1131 -1 1 4 28.79 2.54 3.1006 -3 1 1 28.88 4.63 3.0913 0 1 4 29.02 3.66 3.0772 1 2 1 29.22 25.06 3.0566 3 1 0 29.48 29.12 3.0300 0 2 2 29.81 11.90 2.9971 -3 1 2 31.06 1.84 2.8795 -2 1 4 31.63 4.28 2.8285 1 1 4 31.73 2.60 2.8200 -2 2 1 31.77 4.01 2.8167 2 2 0 32.14 14.22 2.7847 -3 1 3 32.88 88.47 2.7244 0 2 3 33.01 93.35 2.7138 -2 2 2 33.03 2.51 2.7117 -1 2 3 33.12 100.00 2.7051 2 2 1 33.47 87.91 2.6771 -2 0 5 33.79 88.50 2.6524 2 0 4 34.03 15.41 2.6349 3 1 2 34.18 69.74 2.6233 -4 0 1 35.02 2.86 2.5620 1 2 3 35.56 5.24 2.5246 -3 1 4 36.41 6.18 2.4677 2 1 4 36.47 9.91 2.4634 -4 0 3 36.74 8.83 2.4462 4 0 1 36.77 1.29 2.4443 -4 1 1 37.09 23.92 2.4237 -3 2 1 37.29 3.62 2.4115 -4 1 2 37.42 2.07 2.4034 4 1 0 38.82 3.38 2.3200 0 0 6 38.90 12.23 2.3151 3 2 1 38.93 4.14 2.3137 -2 2 4 39.15 4.18 2.3011 2 2 3 39.27 1.50 2.2941 -4 0 4 39.40 2.13 2.2869 1 2 4 39.65 4.22 2.2733 4 0 2 39.70 2.03 2.2701 2 0 5 39.82 41.05 2.2636 -3 2 3 39.82 2.07 2.2636 -3 1 5 40.73 17.07 2.2152 0 3 1 41.16 20.60 2.1934 0 1 6 41.18 8.83 2.1923 1 3 0 41.40 13.31 2.1809 3 2 2 41.43 40.10 2.1796 -1 3 1 41.59 19.17 2.1714 -4 1 4 41.95 14.14 2.1538 4 1 2 41.99 4.81 2.1519 1 3 1 42.32 10.61 2.1355 0 3 2 42.63 19.86 2.1208 3 1 4 42.72 2.95 2.1164 -1 3 2 42.95 11.67 2.1056 -4 0 5 43.42 11.04 2.0842 4 0 3 43.75 1.13 2.0691 -4 2 1 43.76 6.12 2.0687 1 1 6 43.81 1.68 2.0665 1 3 2 44.00 4.08 2.0580 -2 3 1 44.03 6.02 2.0568 2 3 0 44.74 29.31 2.0254 -3 1 6 44.97 2.87 2.0156 -2 3 2 44.99 1.87 2.0148 -1 3 3 45.06 2.43 2.0121 2 3 1 45.12 2.88 2.0096 -4 1 5 45.31 10.09 2.0015 -5 1 1 45.49 24.77 1.9941 -5 1 2 45.56 8.33 1.9909 4 1 3 45.58 3.26 1.9901 -2 0 7 45.62 9.00 1.9885 0 0 7 45.64 5.00 1.9878 -4 2 3 45.86 1.58 1.9788 4 2 1 45.94 1.14 1.9754 2 0 6 46.11 6.39 1.9684 5 1 0 46.42 3.51 1.9560 -3 2 5 46.55 8.17 1.9511 1 3 3 46.79 12.23 1.9414 -1 1 7 46.97 2.77 1.9347 -1 2 6 47.36 2.79 1.9194 -4 0 6 47.61 52.97 1.9101 0 2 6 47.69 11.27 1.9071 0 1 7 47.86 3.97 1.9004 5 1 1 47.87 16.16 1.9002 3 1 5 47.90 2.62 1.8992 4 0 4 47.99 27.02 1.8956 -4 2 4 48.07 3.14 1.8928 -2 2 6 48.26 1.83 1.8858 0 3 4 48.31 36.96 1.8838 4 2 2 48.36 5.96 1.8820 2 2 5 48.48 2.08 1.8778 3 3 0 48.71 2.01 1.8694 -5 1 4 48.87 2.90 1.8638 -3 3 2 48.93 9.72 1.8617 3 2 4 49.70 1.58 1.8344 -2 3 4 49.88 1.69 1.8282 2 3 3 50.19 2.17 1.8176 -3 1 7 50.26 1.31 1.8152 1 1 7 50.44 4.38 1.8092 -3 3 3 50.48 5.90 1.8078 5 1 2 51.17 8.31 1.7850 -4 2 5 51.35 10.75 1.7794 -5 2 1 51.51 1.15 1.7742 -5 2 2 51.58 4.39 1.7719 4 2 3 51.62 14.95 1.7706 -5 1 5 51.76 2.68 1.7661 3 3 2 52.10 2.35 1.7556 -2 0 8 52.37 3.07 1.7471 -4 0 7 52.38 1.17 1.7466 -6 0 2 52.60 4.59 1.7400 0 0 8 52.70 2.41 1.7368 -1 2 7 53.27 3.89 1.7196 -2 3 5 53.49 11.28 1.7131 -2 2 7 53.49 3.07 1.7130 2 3 4 53.52 10.70 1.7120 0 2 7 53.59 1.71 1.7102 3 1 6 53.69 6.80 1.7072 5 2 1 53.69 3.80 1.7071 3 2 5 53.81 10.43 1.7036 2 2 6 53.88 2.85 1.7015 5 1 3 54.33 5.40 1.6886 1 3 5 54.47 1.78 1.6846 -5 2 4 54.53 10.96 1.6828 0 4 0 54.65 5.65 1.6794 3 3 3 54.86 3.85 1.6736 -6 0 4 55.08 1.76 1.6673 -4 2 6 55.22 4.46 1.6635 6 0 1 55.39 1.71 1.6588 -4 3 3 55.52 3.79 1.6552 -1 4 1 55.56 2.73 1.6540 4 2 4 55.58 2.27 1.6535 4 3 1 55.84 2.63 1.6465 -3 2 7 55.97 6.35 1.6430 1 4 1 56.07 4.97 1.6402 -3 3 5 56.09 1.39 1.6397 -3 1 8 56.11 2.27 1.6391 5 2 2 56.24 1.06 1.6357 0 4 2 56.55 2.50 1.6276 -1 3 6 56.56 3.20 1.6270 -1 4 2 57.17 4.10 1.6113 -5 2 5 57.61 5.61 1.6001 -2 4 1 57.63 3.50 1.5995 2 4 0 57.77 1.74 1.5958 2 3 5 57.98 1.93 1.5907 5 1 4 58.43 2.05 1.5795 -1 4 3 58.48 1.17 1.5782 2 4 1 58.86 1.16 1.5690 -1 2 8 58.90 4.76 1.5680 -2 0 9 59.29 3.30 1.5585 2 0 8 59.38 3.01 1.5566 -2 2 8 59.63 4.94 1.5506 -4 2 7 59.64 6.48 1.5503 -6 2 2 59.71 5.06 1.5487 -6 2 1 59.72 7.16 1.5484 2 2 7 59.73 1.98 1.5483 3 1 7 59.73 2.00 1.5482 1 4 3 59.79 4.56 1.5466 0 0 9 59.84 6.23 1.5456 0 2 8 59.97 5.08 1.5424 -3 3 6 60.17 3.55 1.5378 4 2 5 60.28 1.72 1.5354 -4 3 5 60.38 1.34 1.5330 -6 2 3 60.43 1.99 1.5318 -5 3 1 60.54 4.51 1.5294 -6 0 6 60.58 5.68 1.5285 -5 3 2 60.59 1.72 1.5283 6 2 0 60.60 2.43 1.5280 -5 2 6 61.13 3.82 1.5161 -3 4 1 61.15 8.16 1.5155 6 0 3 61.18 5.75 1.5150 0 4 4 61.36 1.15 1.5108 3 4 0 61.69 3.05 1.5035 -3 4 2 62.25 1.32 1.4914 -6 1 6 62.27 1.58 1.4910 1 2 8 62.37 1.60 1.4889 -2 3 7 62.40 6.53 1.4883 -3 1 9 62.55 1.89 1.4850 5 3 1 62.66 1.27 1.4827 2 3 6 62.69 4.38 1.4821 5 1 5 63.87 4.34 1.4575 -7 1 1 63.88 1.89 1.4572 -4 0 9 64.10 1.36 1.4527 -7 1 3 64.44 1.09 1.4460 -6 0 7 64.52 6.03 1.4443 -5 1 8 64.59 1.34 1.4430 4 0 7 64.73 9.78 1.4402 0 4 5 64.75 1.62 1.4398 -4 2 8 64.76 3.92 1.4396 5 3 2 64.92 2.29 1.4364 7 1 0 65.17 2.57 1.4316 -3 4 4 65.36 1.79 1.4278 4 2 6 65.39 3.43 1.4272 -7 1 4 65.52 7.73 1.4247 -2 4 5 65.71 8.54 1.4210 2 4 4 65.73 1.96 1.4206 -5 3 5 65.95 13.70 1.4164 -4 4 1 66.02 1.73 1.4151 -2 0 10 66.27 2.55 1.4103 3 1 8 66.43 2.02 1.4074 2 0 9 66.45 1.05 1.4069 1 4 5 66.54 2.84 1.4054 0 2 9 66.74 4.09 1.4016 3 4 3 67.24 3.91 1.3924 -6 2 6 67.29 2.96 1.3914 -1 3 8 67.43 1.81 1.3888 3 3 6 67.82 3.37 1.3819 6 2 3 67.96 3.36 1.3793 5 1 6 68.20 1.43 1.3750 0 3 8 68.43 2.38 1.3710 -1 4 6 68.71 1.86 1.3660 -6 3 3 68.90 2.20 1.3627 6 3 0 69.63 1.56 1.3503 -3 3 8 69.99 1.63 1.3443 3 4 4 70.33 5.55 1.3386 -4 0 10 71.09 6.54 1.3262 4 0 8 71.65 1.08 1.3172 -1 5 2 71.81 2.75 1.3146 -4 4 5 71.99 6.96 1.3117 -8 0 2 72.09 1.93 1.3102 -5 4 2 72.14 2.10 1.3093 4 4 3 72.50 1.91 1.3037 7 1 3 72.56 1.32 1.3028 5 4 0 72.59 1.07 1.3024 2 5 0 73.07 1.10 1.2949 -1 4 7 73.30 3.05 1.2915 -8 0 4 73.62 2.04 1.2867 -7 1 7 73.63 3.66 1.2865 8 0 0 73.71 1.48 1.2853 -2 3 9 73.90 1.13 1.2825 5 4 1 74.06 1.26 1.2800 2 3 8 74.72 1.45 1.2704 -2 5 3 74.82 1.73 1.2689 2 5 2 75.07 1.29 1.2654 -4 4 6 75.48 1.12 1.2595 4 4 4 75.95 2.27 1.2529 5 4 2 76.60 6.95 1.2438 -4 2 10 76.86 2.55 1.2403 -5 4 5 77.27 2.13 1.2347 -5 3 8 77.34 5.12 1.2338 4 2 8 78.08 1.01 1.2240 -7 3 4 78.22 9.05 1.2221 -8 2 2 78.43 1.26 1.2193 5 2 7 78.46 1.57 1.2190 3 4 6 78.78 1.70 1.2148 -4 1 11 79.01 1.06 1.2119 -6 4 2 79.07 1.16 1.2111 -6 4 1 79.33 2.28 1.2078 7 3 1 79.59 2.53 1.2045 4 1 9 79.68 2.72 1.2034 -2 2 11 79.81 1.73 1.2018 -6 0 10 79.86 1.08 1.2011 -5 4 6 79.97 1.13 1.1997 -7 3 5 80.10 3.50 1.1981 2 2 10 80.67 1.10 1.1911 3 1 10 80.83 2.23 1.1891 6 0 7 80.86 1.23 1.1887 3 5 3 81.21 3.87 1.1845 0 2 11 81.67 1.13 1.1790 8 2 1 81.71 1.76 1.1785 7 3 2 82.04 1.37 1.1746 -3 5 5 82.57 1.05 1.1684 -7 3 6 82.94 1.87 1.1641 -6 3 8 83.21 2.09 1.1611 -4 5 4 83.26 2.29 1.1604 -2 5 6 83.44 2.11 1.1584 4 5 2 83.48 2.21 1.1579 2 5 5 83.59 1.77 1.1567 -8 2 6 83.72 1.43 1.1552 6 3 5 83.91 2.10 1.1531 -3 1 12 84.19 1.23 1.1501 -1 4 9 84.23 1.52 1.1495 8 2 2 84.46 5.17 1.1470 -8 0 8 84.78 1.48 1.1435 2 4 8 84.79 1.23 1.1434 7 3 3 85.22 1.81 1.1388 3 2 10 85.22 6.20 1.1387 0 4 9 85.41 3.12 1.1366 8 0 4 85.77 1.43 1.1328 -5 5 1 85.86 3.88 1.1319 -7 3 7 85.90 1.53 1.1314 -5 5 2 86.02 1.39 1.1301 5 3 7 86.69 1.17 1.1232 -8 2 7 86.73 1.13 1.1227 -5 5 3 87.16 3.94 1.1183 0 6 1 87.31 1.11 1.1168 -7 4 1 87.46 1.68 1.1153 1 6 0 87.48 1.19 1.1150 8 2 3 87.50 1.07 1.1148 0 5 7 87.52 1.48 1.1146 -7 4 3 87.54 1.42 1.1145 1 4 9 87.63 2.27 1.1135 5 5 1 87.86 1.39 1.1111 -7 1 10 87.90 1.31 1.1108 2 2 11 88.17 1.88 1.1081 -5 3 10 88.26 1.01 1.1072 7 4 0 88.26 1.17 1.1071 -5 5 4 88.56 1.69 1.1042 7 3 4 88.77 1.50 1.1022 -4 5 6 88.91 1.70 1.1007 -9 1 6 89.16 2.17 1.0983 4 5 4 89.33 1.87 1.0967 0 2 12 89.98 3.85 1.0905 0 6 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.