Mattheddleite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070490 Steele I M, Pluth J J, Livingstone A Mineralogical Magazine 64 (2000) 915-921 Crystal structure of mattheddleite: a Pb, S, Si phase with the apatite structure Locality: Leadhills, Scotland _database_code_amcsd 0014546 CELL PARAMETERS: 9.9360 9.9360 7.4850 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.33333 0.66667 0.00570 0.625 2.613 Pb 0.25070 -0.00040 0.21360 0.625 3.174 Si 0.40580 0.38140 0.25000 0.500 1.105 S 0.40580 0.38140 0.25000 0.500 1.105 O 0.33200 0.48700 0.25000 1.000 2.211 O 0.58900 0.48000 0.25000 1.000 3.079 O 0.35700 0.27500 0.08200 1.000 3.000 Cl 0.00000 0.00000 0.00000 0.570 2.763 OH 0.00000 0.00000 0.00000 0.430 2.763 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 193.3513103 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.28 11.30 8.6048 1 0 0 17.85 1.23 4.9680 1 1 0 20.64 20.37 4.3024 2 0 0 21.47 60.36 4.1392 1 1 1 23.77 16.71 3.7425 0 0 2 25.96 18.37 3.4319 1 0 2 27.42 10.45 3.2523 1 2 0 27.42 14.53 3.2523 2 1 0 29.89 49.96 2.9892 1 1 2 29.96 43.84 2.9829 1 2 1 29.96 56.16 2.9829 2 1 1 31.18 29.25 2.8683 3 0 0 36.61 2.92 2.4549 1 2 2 37.69 2.63 2.3865 1 3 0 40.46 9.96 2.2296 1 1 3 42.00 10.73 2.1512 4 0 0 43.74 16.22 2.0696 2 2 2 45.05 5.11 2.0122 1 3 2 45.05 4.47 2.0122 3 1 2 45.84 8.87 1.9796 1 2 3 45.84 8.56 1.9796 2 1 3 45.97 3.44 1.9741 2 3 0 45.97 1.73 1.9741 3 2 0 47.64 10.61 1.9088 2 3 1 47.64 10.34 1.9088 3 2 1 48.48 4.78 1.8777 1 4 0 48.48 5.45 1.8777 4 1 0 48.66 4.83 1.8713 0 0 4 48.83 20.11 1.8651 4 0 2 56.60 1.97 1.6262 2 4 0 56.60 1.07 1.6262 4 2 0 56.76 1.75 1.6219 1 2 4 56.76 1.09 1.6219 2 1 4 56.95 5.08 1.6169 3 3 1 58.93 3.61 1.5672 3 0 4 59.08 2.70 1.5636 5 0 2 59.73 1.46 1.5481 2 3 3 59.73 3.39 1.5481 3 2 3 59.84 1.36 1.5455 5 1 0 61.20 3.57 1.5144 3 3 2 61.24 3.01 1.5135 1 5 1 61.24 4.73 1.5135 5 1 1 66.19 1.04 1.4118 4 0 4 67.94 1.30 1.3797 3 3 3 69.35 1.79 1.3551 2 5 1 69.35 2.05 1.3551 5 2 1 70.29 2.05 1.3392 6 0 2 71.13 1.64 1.3255 1 4 4 71.13 1.45 1.3255 4 1 4 71.27 1.32 1.3232 3 4 2 71.86 1.31 1.3138 5 1 3 73.20 2.15 1.2930 2 5 2 73.20 1.32 1.2930 5 2 2 73.23 1.35 1.2925 1 6 1 73.23 1.23 1.2925 6 1 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.