Bystrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060642 Pobedimskaya E A, Terent'eva L E, Sapozhnikov A N, Kashaev A A, Dorokhova G I Doklady Akademii Nauk SSSR 319 (1991) 873-878 Crystal structure of bystrite CELL PARAMETERS: 12.8850 12.8850 10.7080 90.000 90.000 120.000 SPACE GROUP: P31c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 0.940 0.860 Na 0.13600 0.28900 0.25800 0.300 2.060 K 0.13600 0.28900 0.25800 0.100 2.060 Na 0.02800 0.51200 0.02500 0.600 1.840 K 0.02800 0.51200 0.02500 0.200 1.840 Na 0.38800 0.19200 0.77700 0.450 1.920 K 0.38800 0.19200 0.77700 0.150 1.920 Na 0.66667 0.33333 0.22900 0.750 2.160 K 0.66667 0.33333 0.22900 0.250 2.160 Si 0.25380 0.25190 0.01420 0.510 0.930 Al 0.25380 0.25190 0.01420 0.490 0.930 Si 0.67050 0.08090 0.25970 0.510 0.500 Al 0.67050 0.08090 0.25970 0.490 0.500 Si 0.07990 0.41490 0.76010 0.510 0.840 Al 0.07990 0.41490 0.76010 0.490 0.840 Si 0.25710 0.00220 0.01430 0.510 0.180 Al 0.25710 0.00220 0.01430 0.490 0.180 O 0.34600 0.01100 0.39800 1.000 1.830 O 0.23800 0.11900 -0.01700 1.000 2.710 O 0.67900 0.00200 0.14900 1.000 0.710 O 0.65900 0.01300 0.40100 1.000 1.450 O 0.22900 0.11600 0.50500 1.000 1.850 O 0.07400 0.53900 0.74000 1.000 1.040 O 0.22500 0.45100 0.76700 1.000 2.230 O -0.00400 0.30600 0.15300 1.000 1.910 S 0.55100 0.26900 0.74400 0.400 3.050 S 0.58200 0.27600 0.52700 0.230 0.740 S 0.58800 0.28400 -0.01400 0.250 1.490 S 0.61600 0.26300 0.90400 0.300 2.750 Cl 0.00000 0.00000 0.24500 0.480 2.240 Wa 0.00000 0.00000 0.75300 0.480 1.470 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 6.233218069 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.92 24.80 11.1587 1 0 0 11.45 22.07 7.7261 1 0 1 13.75 33.92 6.4425 1 1 0 17.93 2.77 4.9480 2 0 1 18.38 83.94 4.8271 1 0 2 21.06 1.60 4.2176 2 1 0 22.66 26.44 3.9242 2 1 1 22.66 25.81 3.9242 3 -1 1 23.92 100.00 3.7196 3 0 0 26.21 14.75 3.3996 1 0 3 26.91 39.46 3.3131 2 1 2 26.91 35.40 3.3131 3 -1 2 27.69 3.00 3.2213 2 2 0 30.06 4.18 2.9732 3 1 1 30.06 4.89 2.9732 4 -1 1 32.08 21.82 2.7897 4 0 0 32.87 2.05 2.7246 2 1 3 32.87 2.23 2.7246 3 -1 3 33.19 33.74 2.6996 4 0 1 33.44 6.21 2.6794 3 1 2 33.44 6.70 2.6794 4 -1 2 33.47 49.96 2.6770 0 0 4 34.45 3.19 2.6031 1 0 4 34.84 2.06 2.5754 3 0 3 35.05 1.67 2.5600 3 2 0 36.31 43.13 2.4740 4 0 2 36.34 1.09 2.4721 2 -1 4 36.91 2.25 2.4350 4 1 0 38.50 1.91 2.3383 3 1 3 38.50 2.25 2.3383 4 -1 3 39.00 1.36 2.3096 3 2 2 39.00 1.18 2.3096 5 -2 2 41.06 15.43 2.1980 4 0 3 41.32 1.02 2.1848 5 0 1 41.56 6.47 2.1728 3 0 4 42.08 19.52 2.1475 3 3 0 42.89 2.30 2.1088 4 2 0 43.50 1.91 2.0803 3 2 3 43.50 1.62 2.0803 5 -2 3 43.75 1.31 2.0691 4 2 1 43.95 1.48 2.0599 5 0 2 43.98 5.85 2.0588 2 2 4 43.98 5.43 2.0588 4 -2 4 46.27 1.15 1.9621 6 -2 2 47.05 11.11 1.9315 4 0 4 47.62 2.52 1.9095 2 1 5 47.62 2.23 1.9095 3 -1 5 48.50 2.58 1.8770 6 -1 2 48.50 3.33 1.8770 5 1 2 48.98 1.02 1.8598 6 0 0 49.25 1.08 1.8502 3 2 4 49.25 1.23 1.8502 5 -2 4 49.70 3.67 1.8345 4 3 0 50.47 2.06 1.8081 7 -3 1 50.47 2.34 1.8081 4 3 1 50.68 9.02 1.8013 4 1 4 50.68 8.88 1.8013 5 -1 4 51.12 8.94 1.7868 5 2 0 51.88 4.38 1.7623 1 0 6 52.75 4.55 1.7354 7 -3 2 52.75 3.38 1.7354 4 3 2 53.98 5.01 1.6988 4 0 5 54.80 1.62 1.6751 6 -3 4 55.95 2.86 1.6436 2 1 6 55.95 2.98 1.6436 3 -1 6 56.77 1.77 1.6217 6 1 2 56.77 1.57 1.6217 7 -1 2 57.19 9.74 1.6106 4 4 0 57.84 1.07 1.5941 7 0 0 58.54 1.00 1.5767 7 0 1 58.54 1.09 1.5767 5 3 1 59.82 1.49 1.5460 3 1 6 59.82 1.39 1.5460 4 -1 6 60.61 2.63 1.5278 7 0 2 60.61 1.13 1.5278 8 -3 2 60.61 1.08 1.5278 5 3 2 60.63 3.88 1.5274 6 0 4 61.25 1.06 1.5133 7 -3 4 61.70 10.01 1.5034 4 0 6 62.88 3.20 1.4780 7 1 0 67.10 1.38 1.3948 8 0 0 67.75 3.21 1.3832 8 0 1 67.92 9.33 1.3801 8 -4 4 67.92 9.46 1.3801 4 4 4 69.66 10.96 1.3498 8 0 2 70.17 2.69 1.3413 4 0 7 70.33 6.28 1.3385 0 0 8 72.80 2.71 1.2992 8 0 3 73.14 4.93 1.2939 8 -1 4 73.14 4.75 1.2939 7 1 4 74.12 2.02 1.2792 4 3 6 74.12 1.63 1.2792 7 -3 6 74.83 1.45 1.2688 8 1 2 74.83 1.78 1.2688 9 -1 2 75.49 2.87 1.2594 3 0 8 76.54 3.02 1.2447 9 -3 4 76.54 2.73 1.2447 6 3 4 76.89 1.48 1.2399 9 0 0 77.10 1.15 1.2370 8 0 4 79.41 1.62 1.2068 4 0 8 80.85 1.33 1.1889 7 0 6 82.54 2.06 1.1688 8 0 5 89.09 3.38 1.0990 8 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.