Heterosite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070148 Eventoff W, Martin R, Peacor D R American Mineralogist 57 (1972) 45-51 The crystal structure of heterosite Locality: Fletcher Quarry, North Groton, New Hampshire, USA CELL PARAMETERS: 5.8530 9.9020 4.7910 90.000 90.000 90.000 SPACE GROUP: Pmnb ATOM X Y Z OCCUPANCY ISO(B) Fe 0.25000 0.27700 0.94490 0.650 0.408 Mn 0.25000 0.27700 0.94490 0.350 0.408 P 0.25000 0.09350 0.39830 1.000 0.352 O 0.25000 0.11760 0.71310 1.000 0.811 O 0.25000 0.44170 0.16140 1.000 0.791 O 0.04610 0.16840 0.25130 1.000 0.595 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 9 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 14.56443654 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.92 75.73 4.9510 0 2 0 20.59 94.40 4.3127 0 1 1 23.54 22.22 3.7800 1 2 0 24.00 1.83 3.7074 1 0 1 25.66 95.46 3.4720 1 1 1 25.88 21.15 3.4429 0 2 1 30.11 34.14 2.9676 1 2 1 30.55 82.11 2.9265 2 0 0 32.95 13.29 2.7181 0 3 1 35.64 2.66 2.5193 2 2 0 36.45 100.00 2.4652 1 3 1 37.13 34.01 2.4216 2 1 1 38.67 17.37 2.3283 0 1 2 39.53 11.98 2.2800 1 4 0 40.45 9.17 2.2298 2 2 1 41.04 14.84 2.1993 0 4 1 41.75 9.83 2.1634 1 1 2 41.89 6.08 2.1564 0 2 2 43.98 3.24 2.0587 1 4 1 44.79 6.46 2.0234 1 2 2 45.55 9.73 1.9916 2 3 1 46.86 2.31 1.9387 0 3 2 48.14 2.39 1.8900 2 4 0 49.15 15.07 1.8537 2 0 2 49.53 4.23 1.8404 1 3 2 50.06 15.33 1.8220 2 1 2 50.51 2.67 1.8069 3 0 1 51.40 12.62 1.7776 3 1 1 52.38 11.42 1.7468 1 5 1 52.73 22.53 1.7360 2 2 2 53.21 9.64 1.7215 0 4 2 54.02 12.60 1.6974 3 2 1 55.65 11.76 1.6515 1 4 2 55.70 2.59 1.6503 0 6 0 56.98 1.99 1.6162 2 3 2 58.07 17.65 1.5884 1 6 0 58.21 22.67 1.5850 3 3 1 58.55 1.28 1.5766 0 1 3 60.41 9.41 1.5323 3 4 0 60.85 5.44 1.5224 1 1 3 60.96 1.82 1.5199 0 2 3 62.07 2.47 1.4954 3 1 2 62.61 3.19 1.4838 2 4 2 62.93 11.28 1.4769 1 5 2 63.21 15.19 1.4711 1 2 3 63.59 14.30 1.4633 4 0 0 64.86 14.48 1.4375 2 6 0 66.65 2.11 1.4032 4 2 0 67.04 1.19 1.3961 1 3 3 67.48 1.36 1.3880 2 1 3 67.61 4.37 1.3857 4 1 1 68.19 1.26 1.3752 3 3 2 69.12 3.55 1.3590 0 6 2 69.26 6.38 1.3567 0 7 1 69.45 1.39 1.3533 2 5 2 69.72 13.32 1.3488 2 2 3 70.56 3.72 1.3348 3 5 1 71.23 1.73 1.3238 1 6 2 72.22 10.03 1.3080 1 4 3 73.50 2.00 1.2884 4 3 1 75.45 7.06 1.2600 3 6 0 76.65 1.69 1.2432 0 5 3 76.96 4.03 1.2389 4 1 2 77.56 8.81 1.2308 2 7 1 77.90 2.28 1.2263 3 1 3 78.39 1.30 1.2198 2 4 3 78.49 1.51 1.2186 3 6 1 78.53 1.43 1.2181 0 7 2 79.09 2.49 1.2108 4 2 2 79.77 5.42 1.2022 3 5 2 80.03 4.30 1.1990 3 2 3 80.83 4.53 1.1891 0 1 4 82.09 1.26 1.1740 1 8 1 82.94 1.07 1.1642 0 2 4 84.72 2.54 1.1442 2 5 3 86.06 2.03 1.1297 5 1 1 86.56 2.29 1.1245 2 7 2 87.49 2.23 1.1149 4 4 2 88.08 3.62 1.1090 2 8 1 88.41 7.58 1.1057 3 4 3 88.82 7.19 1.1016 2 1 4 89.52 2.34 1.0949 4 6 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.