Euchlorine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070460 Scordari F, Stasi F Neues Jahrbuch fur Mineralogie, Abhandlungen 161 (1990) 241-253 The crystal structure of euchlorine, NaKCu3O(SO4)3 Locality: Vesuvius, Italy CELL PARAMETERS: 18.5580 9.3940 14.3250 90.000 113.870 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) K 0.69320 0.23820 0.62870 1.000 2.527 Na 0.67500 0.76390 0.54670 1.000 1.737 Cu 0.58310 0.25510 0.29470 1.000 0.947 Cu 0.48310 0.98170 0.34400 1.000 0.869 Cu 0.51630 0.52580 0.36120 1.000 0.947 S 0.65570 0.96930 0.36920 1.000 1.026 S 0.65420 0.54280 0.29260 1.000 0.869 S 0.50180 0.75200 0.51570 1.000 0.869 O 0.50000 0.11380 0.25000 1.000 0.869 O 0.50000 0.39780 0.25000 1.000 0.711 O 0.59830 0.94100 0.41530 1.000 1.500 O 0.72890 0.90010 0.43000 1.000 1.658 O 0.62250 0.92160 0.26220 1.000 1.026 O 0.66910 0.12060 0.36850 1.000 1.658 O 0.66660 0.38880 0.31060 1.000 1.737 O 0.72940 0.61300 0.31170 1.000 1.895 O 0.61930 0.60060 0.35930 1.000 1.342 O 0.59890 0.56760 0.18630 1.000 1.263 O 0.45760 0.85400 0.43400 1.000 0.237 O 0.44400 0.67710 0.54560 1.000 1.263 O 0.56130 0.82520 0.60580 1.000 0.947 O 0.54690 0.64740 0.47900 1.000 1.105 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 15 +/- 8 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 27.95542784 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.43 100.00 8.4853 2 0 0 11.53 6.66 7.6717 -1 1 1 13.32 17.19 6.6466 -2 0 2 13.52 14.83 6.5499 0 0 2 13.80 4.96 6.4187 1 1 1 17.17 4.81 5.1649 -3 1 1 18.89 2.55 4.6970 0 2 0 19.80 4.91 4.4838 -4 0 2 20.20 6.13 4.3954 2 0 2 20.94 2.73 4.2427 4 0 0 21.09 14.98 4.2134 -1 1 3 21.63 4.83 4.1094 2 2 0 22.18 1.74 4.0076 -3 1 3 23.19 13.51 3.8359 -2 2 2 23.30 10.29 3.8170 0 2 2 24.87 4.19 3.5805 -2 0 4 25.98 7.59 3.4291 -5 1 2 26.10 2.47 3.4147 -5 1 1 26.40 7.77 3.3761 3 1 2 26.83 2.63 3.3233 -4 0 4 27.07 3.61 3.2945 -3 1 4 27.23 4.19 3.2749 0 0 4 27.27 4.79 3.2707 -1 1 4 27.50 1.71 3.2433 -4 2 2 28.35 1.54 3.1484 4 2 0 28.88 2.24 3.0916 -6 0 2 29.30 22.37 3.0479 -1 3 1 29.35 1.55 3.0431 4 0 2 30.30 4.54 2.9498 1 3 1 31.26 2.71 2.8610 5 1 1 31.42 26.00 2.8475 -2 2 4 31.63 5.59 2.8284 6 0 0 32.39 3.41 2.7643 -6 0 4 32.74 3.99 2.7353 -3 1 5 33.02 13.20 2.7129 -4 2 4 33.07 2.23 2.7091 2 0 4 33.35 10.62 2.6864 0 2 4 33.81 2.42 2.6510 -1 1 5 34.38 1.70 2.6083 -1 3 3 34.74 11.98 2.5824 -6 2 2 35.08 3.81 2.5581 -5 1 5 35.14 10.90 2.5539 4 2 2 35.20 3.62 2.5498 -7 1 2 35.67 3.31 2.5170 5 1 2 36.93 3.00 2.4338 1 3 3 37.10 6.89 2.4230 6 2 0 37.76 3.80 2.3824 -6 2 4 37.79 1.23 2.3808 -5 3 1 38.33 4.85 2.3485 0 4 0 38.36 3.23 2.3468 2 2 4 38.91 1.77 2.3148 -5 3 3 39.38 1.10 2.2881 0 2 5 39.83 3.83 2.2634 2 4 0 41.35 1.41 2.1833 0 0 6 41.67 2.69 2.1677 5 3 1 42.24 1.84 2.1396 3 3 3 42.73 3.90 2.1162 -4 2 6 42.93 4.51 2.1067 -2 2 6 43.65 3.68 2.0734 -8 2 2 44.12 3.61 2.0527 6 2 2 44.66 1.66 2.0291 3 1 5 45.25 2.11 2.0038 -6 2 6 45.38 1.93 1.9986 -9 1 2 45.50 3.96 1.9933 -3 1 7 45.89 1.97 1.9774 7 1 2 46.04 2.42 1.9716 -8 0 6 46.62 3.28 1.9484 -7 3 4 46.82 1.13 1.9402 -9 1 1 46.98 1.77 1.9340 2 0 6 47.00 5.53 1.9333 8 2 0 47.24 1.79 1.9239 3 3 4 48.69 2.31 1.8701 -6 4 2 48.96 1.08 1.8603 -1 5 1 48.99 1.73 1.8592 4 4 2 49.09 1.49 1.8557 -7 3 5 49.49 1.03 1.8417 -10 0 4 50.51 1.63 1.8068 6 4 0 51.03 1.74 1.7898 -6 4 4 51.50 1.27 1.7745 2 4 4 51.99 1.25 1.7590 -6 0 8 52.87 2.29 1.7315 3 3 5 56.31 1.38 1.6337 -11 1 2 56.86 1.22 1.6192 9 1 2 57.43 1.06 1.6047 4 4 4 57.65 1.21 1.5990 0 4 6 57.89 1.85 1.5929 5 5 1 58.44 1.40 1.5792 -11 1 6 58.81 1.39 1.5701 -3 5 5 59.50 1.67 1.5537 -1 5 5 59.72 1.31 1.5483 5 1 6 60.32 2.71 1.5343 -5 5 5 61.03 1.88 1.5183 -7 5 1 61.40 2.00 1.5100 -8 4 6 62.18 1.86 1.4929 2 4 6 63.34 2.00 1.4683 -12 2 4 64.36 1.49 1.4475 8 2 4 65.01 1.92 1.4345 -2 6 4 65.52 1.07 1.4247 -4 0 10 65.57 1.10 1.4238 -4 4 8 66.28 1.21 1.4101 3 1 8 67.16 1.31 1.3937 -7 3 9 67.25 1.16 1.3922 4 6 2 68.58 1.02 1.3684 4 4 6 70.40 1.31 1.3374 -8 2 10 70.53 1.50 1.3352 -1 7 1 71.13 1.91 1.3255 -2 2 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.