Heidornite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141086 Burzlaff H Neues Jahrbuch fur Mineralogie, Monatshefte 1967 (1967) 157-169 Die struktur des heidornit Ca3Na2Cl(SO4)2B5O8(OH)2 _database_code_amcsd 0014732 CELL PARAMETERS: 10.0888 7.8240 18.6993 90.000 92.726 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.39330 0.25000 1.000 0.310 Ca 0.41000 0.24250 0.40308 1.000 0.470 Na 0.15640 0.27810 0.07700 1.000 1.550 Cl 0.00000 0.00000 0.00000 1.000 1.020 S 0.13710 0.47790 0.42205 1.000 0.470 O 0.01290 0.45370 0.37570 1.000 1.320 O 0.14070 0.35310 0.47950 1.000 1.590 O 0.25030 0.45550 0.37800 1.000 1.550 O 0.13500 0.65340 0.45020 1.000 1.300 B 0.33480 0.48660 0.18290 1.000 0.600 B 0.26200 0.23140 0.25040 1.000 0.500 B 0.50000 0.30540 0.25000 1.000 0.890 O 0.15520 0.14190 0.27170 1.000 0.850 O 0.22780 0.37160 0.20980 1.000 0.670 O 0.46160 0.40040 0.18450 1.000 0.720 O 0.38990 0.18930 0.27060 1.000 0.770 O 0.27990 0.53550 0.11160 1.000 0.770 H 0.19340 0.01670 0.44650 1.000 0.720 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 7 +/- 17 MAX. ABS. INTENSITY / VOLUME**2: 3.907449350 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.33 62.95 6.1800 1 1 0 14.97 1.74 5.9189 -1 1 1 15.23 40.85 5.8168 1 1 1 17.44 4.65 5.0860 1 1 2 19.95 20.75 4.4515 -1 1 3 20.42 1.38 4.3489 2 0 2 20.54 5.22 4.3235 1 1 3 22.73 1.77 3.9120 0 2 0 23.23 28.54 3.8289 0 2 1 23.54 100.00 3.7790 -1 1 4 24.22 22.79 3.6744 1 1 4 24.67 6.19 3.6082 0 2 2 25.38 4.58 3.5092 -2 0 4 26.64 5.30 3.3465 2 0 4 28.27 4.96 3.1565 1 1 5 28.68 80.86 3.1130 0 0 6 28.93 7.38 3.0867 3 1 0 29.12 3.60 3.0670 -3 1 1 29.15 12.39 3.0630 -2 2 1 29.44 5.38 3.0344 2 2 1 29.54 16.62 3.0242 3 1 1 29.79 6.39 2.9987 0 2 4 30.09 64.21 2.9697 -3 1 2 30.20 83.46 2.9595 -2 2 2 30.74 84.27 2.9084 2 2 2 30.91 23.17 2.8933 3 1 2 31.79 7.59 2.8149 -3 1 3 31.81 24.32 2.8134 -1 1 6 31.96 3.41 2.8006 -2 2 3 32.58 53.26 2.7482 1 1 6 32.73 4.09 2.7363 2 2 3 33.10 2.71 2.7065 -2 0 6 34.11 17.13 2.6283 -3 1 4 34.58 12.51 2.5938 2 0 6 35.29 74.06 2.5430 2 2 4 35.56 6.33 2.5248 1 3 0 35.64 1.20 2.5193 4 0 0 35.83 26.68 2.5060 -1 3 1 35.95 4.27 2.4981 1 3 1 36.28 3.78 2.4761 -1 1 7 36.50 3.38 2.4620 -4 0 2 36.76 12.01 2.4447 -1 3 2 36.90 20.59 2.4359 0 2 6 36.96 2.71 2.4322 -3 1 5 37.22 2.22 2.4159 -2 2 5 37.41 24.62 2.4038 4 0 2 38.31 3.02 2.3495 -1 3 3 38.56 3.70 2.3348 0 0 8 39.84 4.47 2.2626 -4 0 4 40.24 3.17 2.2414 -3 1 6 40.41 7.74 2.2321 -1 3 4 40.53 6.61 2.2258 -2 2 6 40.83 10.43 2.2100 1 3 4 41.75 3.34 2.1633 1 1 8 41.79 1.33 2.1618 2 2 6 42.69 22.69 2.1181 4 2 0 42.77 25.53 2.1141 -4 2 1 43.18 8.67 2.0953 4 2 1 43.43 1.01 2.0837 -4 2 2 43.49 12.65 2.0810 2 0 8 43.50 10.05 2.0804 1 3 5 43.87 7.12 2.0637 -3 1 7 44.09 4.03 2.0541 -3 3 1 44.22 2.28 2.0481 4 2 2 44.38 5.36 2.0411 3 3 1 44.63 19.78 2.0302 -4 2 3 45.21 3.34 2.0056 -4 0 6 45.56 4.83 1.9910 2 2 7 45.71 19.62 1.9849 -1 1 9 45.80 1.39 1.9812 4 2 3 46.00 2.37 1.9730 -3 3 3 46.01 2.13 1.9725 -1 3 6 46.42 4.34 1.9560 0 4 0 46.53 2.25 1.9518 5 1 0 46.56 17.30 1.9505 -5 1 1 46.69 8.92 1.9454 0 4 1 46.86 1.45 1.9389 3 3 3 47.03 2.61 1.9320 5 1 1 47.13 1.03 1.9284 -5 1 2 47.49 15.89 1.9145 0 4 2 47.49 7.39 1.9144 4 0 6 47.73 2.80 1.9054 -3 3 4 47.81 9.10 1.9025 -3 1 8 47.86 1.50 1.9006 4 2 4 48.06 9.80 1.8931 5 1 2 48.16 21.85 1.8895 -2 2 8 48.22 2.76 1.8874 -5 1 3 48.56 3.08 1.8750 -4 2 5 48.75 3.43 1.8678 0 0 10 49.40 12.26 1.8450 -1 3 7 49.62 12.79 1.8372 2 2 8 49.80 1.79 1.8310 -5 1 4 49.93 7.83 1.8266 -3 3 5 50.00 2.61 1.8241 3 1 8 50.03 15.94 1.8231 1 3 7 50.19 3.94 1.8178 -2 4 1 50.59 18.69 1.8041 0 4 4 50.86 8.65 1.7955 -2 4 2 51.27 1.92 1.7821 3 3 5 51.53 6.06 1.7737 1 1 10 51.58 1.85 1.7720 5 1 4 51.84 2.39 1.7635 -5 1 5 52.01 15.50 1.7582 -3 1 9 52.13 3.43 1.7546 -4 0 8 52.38 2.52 1.7466 -2 2 9 52.55 1.13 1.7415 -3 3 6 53.11 2.47 1.7245 -1 3 8 53.64 1.53 1.7085 -2 4 4 53.79 12.09 1.7041 1 3 8 54.00 13.56 1.6981 5 1 5 54.20 4.89 1.6922 -4 2 7 54.65 1.18 1.6796 6 0 0 54.87 12.62 1.6733 4 0 8 55.48 4.59 1.6562 0 4 6 56.82 2.81 1.6204 5 1 6 56.85 1.79 1.6195 -2 2 10 57.18 5.91 1.6111 -5 1 7 57.42 6.26 1.6049 -6 0 4 57.57 7.13 1.6009 -4 2 8 57.84 1.02 1.5941 -5 3 1 58.19 1.32 1.5853 -2 4 6 58.25 1.68 1.5839 5 3 1 58.48 6.71 1.5782 2 2 10 58.90 2.09 1.5680 3 1 10 59.27 3.26 1.5590 -5 3 3 59.38 2.56 1.5565 0 0 12 59.86 1.58 1.5450 4 4 0 59.94 4.12 1.5433 6 2 0 60.00 1.13 1.5419 -1 5 1 60.00 2.59 1.5418 5 1 7 60.08 2.67 1.5401 1 5 1 60.15 2.30 1.5384 4 2 8 60.45 4.85 1.5315 -4 4 2 60.46 3.68 1.5311 5 3 3 60.83 2.74 1.5228 3 3 8 61.06 1.61 1.5177 -2 4 7 61.27 1.83 1.5129 -4 2 9 61.47 1.44 1.5084 -6 0 6 61.51 2.37 1.5075 -2 0 12 61.94 1.23 1.4981 1 5 3 62.22 1.32 1.4921 5 3 4 62.56 1.00 1.4848 -6 2 4 62.80 1.12 1.4797 -4 4 4 63.21 1.89 1.4711 -1 5 4 63.25 3.12 1.4701 2 2 11 63.52 2.33 1.4647 1 5 4 63.96 1.24 1.4556 -5 1 9 64.03 1.12 1.4542 4 4 4 64.68 3.17 1.4412 3 3 9 65.12 2.64 1.4324 -1 5 5 65.50 2.25 1.4250 1 5 5 65.84 3.36 1.4184 3 5 0 65.98 2.20 1.4159 7 1 0 66.31 1.11 1.4097 -7 1 2 66.46 4.58 1.4069 7 1 1 66.81 2.96 1.4003 -4 4 6 67.11 1.55 1.3948 -7 1 3 67.25 2.08 1.3922 -5 3 7 67.83 1.25 1.3817 -2 4 9 67.83 4.17 1.3816 -5 1 10 68.09 1.60 1.3770 3 5 3 68.25 1.00 1.3741 2 2 12 68.26 3.26 1.3739 4 2 10 68.59 5.76 1.3681 4 4 6 68.72 1.08 1.3660 3 1 12 68.78 1.45 1.3649 -3 5 4 69.60 3.99 1.3508 0 4 10 69.84 1.69 1.3468 5 3 7 69.95 2.59 1.3450 -7 1 5 70.21 1.81 1.3406 -5 3 8 70.55 3.34 1.3350 -3 5 5 70.88 2.82 1.3294 -3 3 11 71.60 1.76 1.3180 1 3 12 71.71 3.42 1.3161 -2 4 10 71.96 1.93 1.3122 -7 1 6 72.70 2.70 1.3007 -3 5 6 73.11 1.23 1.2944 5 3 8 73.17 2.00 1.2935 -1 5 8 73.52 2.81 1.2882 -5 3 9 73.74 2.07 1.2849 1 5 8 73.99 1.96 1.2811 3 5 6 74.10 1.03 1.2795 -6 0 10 74.32 2.35 1.2763 0 6 3 74.65 4.23 1.2715 4 4 8 74.98 2.83 1.2667 7 1 6 75.28 1.98 1.2623 6 2 8 75.47 3.20 1.2597 8 0 0 75.47 1.12 1.2597 -3 3 12 75.73 1.20 1.2559 0 6 4 75.79 2.02 1.2552 -1 3 13 76.22 4.26 1.2491 2 6 2 76.54 2.29 1.2446 -3 1 14 76.72 1.57 1.2421 5 3 9 76.84 1.07 1.2406 8 0 2 77.18 1.65 1.2360 -5 3 10 77.18 2.54 1.2360 5 5 0 77.64 1.46 1.2298 -7 3 4 77.84 2.43 1.2272 7 1 7 77.97 1.15 1.2254 7 3 3 78.01 1.72 1.2248 3 3 12 78.54 2.29 1.2179 0 4 12 78.76 3.56 1.2150 2 6 4 78.86 1.45 1.2138 1 1 15 78.99 3.31 1.2121 2 2 14 79.50 3.14 1.2057 5 5 3 79.50 1.44 1.2056 3 1 14 80.26 1.13 1.1961 -8 2 2 80.39 1.37 1.1945 -6 4 6 80.96 1.20 1.1875 -8 0 6 81.06 2.11 1.1863 5 5 4 81.12 1.06 1.1855 -7 3 6 81.18 1.37 1.1849 -5 3 11 82.20 3.31 1.1727 -3 1 15 82.71 1.22 1.1668 -2 2 15 82.86 3.00 1.1650 6 2 10 82.90 1.46 1.1646 6 4 6 83.61 1.35 1.1565 4 0 14 84.04 1.23 1.1517 7 3 6 85.52 1.91 1.1355 -5 3 12 85.56 1.87 1.1350 -3 3 14 85.91 1.74 1.1313 -8 0 8 87.13 2.38 1.1186 0 2 16 87.38 1.23 1.1161 -2 6 8 87.43 1.16 1.1155 6 0 12 87.68 2.39 1.1130 -4 6 5 88.30 3.28 1.1068 -9 1 2 89.04 2.72 1.0995 -3 5 11 89.22 2.00 1.0977 -7 3 9 89.54 1.63 1.0946 -1 7 3 89.69 1.07 1.0932 -4 6 6 89.75 2.76 1.0926 1 7 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.