Chayesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070367 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: 10.1280 10.1280 14.3110 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: 8.887010735 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.37 42.59 7.1555 0 0 2 15.98 15.72 5.5445 1 0 2 17.51 42.74 5.0640 1 1 0 20.25 24.39 4.3856 2 0 0 21.50 44.97 4.1336 1 1 2 23.80 51.91 3.7391 2 0 2 24.89 28.56 3.5777 0 0 4 26.89 7.18 3.3152 2 1 0 26.91 13.31 3.3128 1 0 4 27.62 100.00 3.2296 2 1 1 29.70 9.81 3.0080 2 1 2 30.58 1.13 2.9237 3 0 0 30.59 48.48 2.9220 1 1 4 32.29 61.05 2.7723 2 0 4 32.90 12.92 2.7223 2 1 3 35.45 24.73 2.5320 2 2 0 36.95 6.84 2.4327 3 1 0 37.50 5.43 2.3983 3 1 1 37.69 4.99 2.3870 2 2 2 41.68 10.66 2.1671 3 1 3 43.15 7.77 2.0965 4 0 2 43.18 1.36 2.0953 2 0 6 43.80 3.00 2.0668 2 2 4 45.05 4.63 2.0122 3 2 0 45.07 12.89 2.0117 3 1 4 47.50 3.32 1.9140 4 1 0 47.95 14.54 1.8971 4 1 1 48.71 1.66 1.8696 4 0 4 49.15 15.06 1.8536 3 1 5 49.28 3.33 1.8490 4 1 2 49.31 3.51 1.8482 3 0 6 51.06 10.41 1.7889 0 0 8 52.14 2.37 1.7542 5 0 0 52.19 1.05 1.7528 1 0 8 52.72 21.93 1.7362 2 2 6 54.35 4.16 1.6880 3 3 0 54.36 2.05 1.6877 4 1 4 54.39 2.14 1.6867 1 1 8 55.43 3.59 1.6576 4 2 0 57.96 2.05 1.5910 4 1 5 58.99 8.69 1.5659 5 1 1 60.14 2.27 1.5385 5 1 2 60.16 1.12 1.5380 3 2 6 60.66 7.56 1.5266 3 3 4 60.69 1.90 1.5259 3 0 8 61.67 2.81 1.5040 4 2 4 62.04 1.90 1.4959 5 1 3 63.65 1.25 1.4619 6 0 0 63.69 12.87 1.4610 2 2 8 65.01 2.19 1.4347 4 3 1 65.02 1.68 1.4344 4 2 5 65.06 1.71 1.4337 2 1 9 65.13 7.99 1.4323 6 0 2 66.58 7.87 1.4045 5 2 0 66.94 4.77 1.3978 5 2 1 66.97 2.10 1.3972 4 1 7 67.92 4.39 1.3801 5 1 5 68.08 1.98 1.3772 1 1 10 68.99 1.86 1.3612 4 2 6 69.03 3.02 1.3605 2 0 10 69.46 3.73 1.3532 6 0 4 69.81 1.43 1.3473 5 2 3 70.39 1.37 1.3376 6 1 0 70.43 2.25 1.3369 3 2 8 70.79 10.21 1.3310 3 1 9 71.85 2.23 1.3139 2 1 10 72.27 3.01 1.3074 5 2 4 73.55 3.49 1.2878 4 3 5 75.94 1.19 1.2530 7 0 0 76.28 2.63 1.2482 5 3 1 76.40 1.60 1.2466 4 4 2 78.14 2.42 1.2231 4 1 9 78.70 2.02 1.2159 4 2 8 79.01 3.92 1.2119 5 3 3 79.07 2.38 1.2111 2 1 11 79.13 1.74 1.2103 5 2 6 80.02 2.03 1.1991 6 2 2 80.07 2.40 1.1984 4 0 10 80.47 3.85 1.1935 4 4 4 81.37 1.38 1.1826 7 0 4 84.12 1.19 1.1508 2 0 12 84.39 2.16 1.1478 5 3 5 87.08 3.03 1.1191 5 1 9 87.17 1.13 1.1182 4 4 6 88.51 2.96 1.1047 5 2 8 89.36 2.65 1.0964 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.