Chayesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080059 Alietti E, Brigatti M F, Capedri S, Poppi L Mineralogical Magazine 58 (1994) 655-662 The roedderite-chayesite series from Spanish lamproites: crystal chemical characterization Locality: Cancarix, Albacete province, Spain CELL PARAMETERS: 10.0790 10.0790 14.3650 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.25000 0.900 2.040 Na 0.00000 0.00000 0.25000 0.100 2.040 Na 0.33333 0.66667 0.00000 0.050 1.200 Mg 0.33333 0.66667 0.25000 0.830 1.820 Fe 0.33333 0.66667 0.25000 0.170 1.820 Mg 0.50000 0.50000 0.25000 0.830 0.860 Fe 0.50000 0.50000 0.25000 0.170 0.860 Si 0.23840 0.35292 0.39072 1.000 0.920 O 0.12980 0.39480 0.00000 1.000 1.760 O 0.21950 0.27760 0.13320 1.000 1.580 O 0.15450 0.49640 0.17250 1.000 1.250 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 8.873529333 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.32 43.54 7.1825 0 0 2 15.98 15.94 5.5462 1 0 2 17.60 42.78 5.0395 1 1 0 20.35 24.39 4.3643 2 0 0 21.54 45.33 4.1253 1 1 2 23.86 52.24 3.7298 2 0 2 24.79 29.27 3.5912 0 0 4 26.84 13.59 3.3211 1 0 4 27.03 7.17 3.2991 2 1 0 27.74 100.00 3.2154 2 1 1 29.80 9.84 2.9980 2 1 2 30.57 49.27 2.9246 1 1 4 30.73 1.13 2.9096 3 0 0 32.28 61.93 2.7731 2 0 4 32.97 13.01 2.7167 2 1 3 35.63 24.70 2.5198 2 2 0 37.14 6.80 2.4209 3 1 0 37.68 5.44 2.3872 3 1 1 37.84 5.01 2.3777 2 2 2 39.88 1.01 2.2607 3 0 4 41.81 10.64 2.1605 3 1 3 43.09 1.38 2.0991 2 0 6 43.34 7.76 2.0879 4 0 2 43.89 3.01 2.0627 2 2 4 45.17 12.96 2.0074 3 1 4 45.28 4.62 2.0025 3 2 0 47.75 3.29 1.9048 4 1 0 48.19 14.45 1.8882 4 1 1 48.84 1.68 1.8649 4 0 4 49.22 15.19 1.8513 3 1 5 49.29 3.56 1.8487 3 0 6 49.51 3.32 1.8411 4 1 2 50.85 10.70 1.7956 0 0 8 51.99 1.08 1.7588 1 0 8 52.41 2.36 1.7457 5 0 0 52.74 22.20 1.7356 2 2 6 54.23 2.20 1.6915 1 1 8 54.53 2.05 1.6827 4 1 4 54.64 4.13 1.6798 3 3 0 55.32 1.01 1.6606 2 0 8 55.72 3.58 1.6496 4 2 0 58.10 2.06 1.5875 4 1 5 59.30 8.64 1.5585 5 1 1 60.25 1.13 1.5360 3 2 6 60.44 2.25 1.5317 5 1 2 60.60 1.93 1.5281 3 0 8 60.88 7.55 1.5216 3 3 4 61.90 2.80 1.4990 4 2 4 62.32 1.90 1.4899 5 1 3 63.63 13.10 1.4623 2 2 8 64.00 1.24 1.4548 6 0 0 64.90 1.74 1.4368 2 1 9 65.22 1.68 1.4305 4 2 5 65.35 2.17 1.4279 4 3 1 65.46 7.93 1.4258 6 0 2 66.95 7.82 1.3977 5 2 0 67.04 2.12 1.3961 4 1 7 67.31 4.73 1.3911 5 2 1 67.84 2.03 1.3815 1 1 10 68.14 4.41 1.3762 5 1 5 68.80 3.10 1.3645 2 0 10 69.16 1.87 1.3584 4 2 6 69.74 3.73 1.3483 6 0 4 70.14 1.42 1.3417 5 2 3 70.43 2.28 1.3369 3 2 8 70.69 10.40 1.3326 3 1 9 70.78 1.36 1.3311 6 1 0 71.65 2.28 1.3171 2 1 10 72.58 3.01 1.3025 5 2 4 73.81 3.50 1.2838 4 3 5 76.38 1.18 1.2470 7 0 0 76.72 2.62 1.2423 5 3 1 76.81 1.59 1.2409 4 4 2 78.12 2.45 1.2234 4 1 9 78.78 2.04 1.2148 4 2 8 78.82 2.44 1.2142 2 1 11 79.39 1.75 1.2071 5 2 6 79.41 3.89 1.2067 5 3 3 79.96 2.44 1.1999 4 0 10 80.46 2.01 1.1936 6 2 2 80.85 3.84 1.1888 4 4 4 81.76 1.37 1.1780 7 0 4 83.79 1.22 1.1544 2 0 12 84.75 2.16 1.1439 5 3 5 87.15 3.06 1.1184 5 1 9 87.49 1.13 1.1149 4 4 6 88.69 2.98 1.1030 5 2 8 89.91 2.64 1.0911 8 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.