Childrenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060146 Giuseppetti G, Tadini C Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 263-271 The crystal structure of childrenite from Tavistock (SW England), Ch89Eo11 term of childrenite-eosphorite series Note: this is the prefered model Locality: Tavistock, SW England _database_code_amcsd 0014785 CELL PARAMETERS: 10.4180 13.4140 6.9090 90.000 90.000 90.000 SPACE GROUP: Bba2 ATOM X Y Z OCCUPANCY ISO(B) Fe 0.13290 0.24990 0.24950 0.890 0.620 Mn 0.13290 0.24990 0.24950 0.110 0.620 Al 0.24830 -0.00030 0.25000 1.000 0.420 P 0.37770 0.33240 0.00000 1.000 0.350 O 0.26430 0.25770 -0.00240 1.000 0.620 O 0.00760 0.22140 0.00120 1.000 0.600 O 0.25360 0.04870 0.00490 1.000 0.490 O 0.10990 0.40850 0.18010 1.000 0.460 O -0.11270 -0.40480 -0.18550 1.000 0.710 O 0.13020 0.60110 0.31780 1.000 0.340 O -0.13200 -0.60050 -0.32000 1.000 0.790 H 0.27900 0.10700 0.00000 1.000 2.700 H 0.03600 0.41600 0.22500 1.000 1.800 H 0.10000 0.40600 0.04800 1.000 3.200 H -0.03600 -0.41600 -0.22500 1.000 2.800 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 11.79680915 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.20 45.50 6.7070 0 2 0 16.76 8.96 5.2910 1 1 1 17.02 33.43 5.2090 2 0 0 18.27 22.04 4.8557 2 1 0 20.33 36.54 4.3688 1 2 1 21.60 20.41 4.1140 2 2 0 25.22 27.52 3.5315 1 3 1 25.79 13.55 3.4545 0 0 2 26.27 32.13 3.3928 2 3 0 26.58 13.31 3.3535 0 4 0 29.08 3.45 3.0711 0 2 2 29.55 1.35 3.0230 3 1 1 30.86 9.33 2.8978 1 4 1 31.73 13.75 2.8197 2 4 0 31.78 32.59 2.8160 3 2 1 31.79 100.00 2.8148 2 1 2 34.43 15.02 2.6045 4 0 0 35.21 2.35 2.5491 3 3 1 36.97 6.26 2.4318 1 5 1 37.03 16.58 2.4279 4 2 0 37.14 28.90 2.4206 2 3 2 37.37 4.94 2.4062 0 4 2 37.72 32.90 2.3851 2 5 0 39.57 1.42 2.2775 3 4 1 40.06 1.79 2.2505 4 3 0 40.34 12.57 2.2357 0 6 0 40.68 1.71 2.2178 1 1 3 41.33 4.38 2.1844 2 4 2 42.39 4.99 2.1321 1 2 3 43.42 1.90 2.0841 1 6 1 43.52 18.30 2.0797 4 0 2 44.02 9.28 2.0570 4 4 0 45.13 3.56 2.0090 1 3 3 45.67 23.47 1.9864 4 2 2 46.26 6.71 1.9627 2 5 2 47.55 6.24 1.9121 5 2 1 48.26 2.94 1.8857 4 3 2 48.50 9.07 1.8769 0 6 2 48.76 13.34 1.8677 1 4 3 50.76 10.04 1.7984 2 7 0 51.72 6.08 1.7674 4 4 2 51.77 4.15 1.7658 2 6 2 53.02 16.28 1.7272 0 0 4 53.14 1.24 1.7234 1 5 3 53.19 1.23 1.7220 6 1 0 54.06 7.75 1.6964 4 6 0 54.60 4.36 1.6809 6 2 0 54.74 4.17 1.6767 0 8 0 54.89 4.90 1.6727 0 2 4 55.14 2.02 1.6658 3 4 3 56.10 2.43 1.6395 2 0 4 56.44 1.16 1.6304 3 7 1 56.55 2.06 1.6274 2 1 4 56.89 3.80 1.6186 6 3 0 57.76 1.34 1.5961 2 8 0 57.80 1.75 1.5952 2 7 2 57.90 2.28 1.5926 2 2 4 60.03 10.21 1.5411 6 1 2 60.11 5.31 1.5393 2 3 4 60.27 9.53 1.5355 0 4 4 60.83 47.50 1.5227 4 6 2 61.33 2.26 1.5115 6 2 2 61.47 8.87 1.5084 0 8 2 63.12 2.63 1.4729 2 4 4 63.47 4.63 1.4657 6 3 2 63.86 6.17 1.4577 6 5 0 64.29 1.64 1.4489 2 8 2 65.09 1.56 1.4329 2 9 0 65.67 1.30 1.4218 7 2 1 66.43 10.15 1.4074 4 2 4 66.88 8.10 1.3989 2 5 4 69.99 1.63 1.3442 1 8 3 70.12 1.71 1.3421 1 2 5 71.25 2.71 1.3236 2 9 2 72.40 2.64 1.3053 4 8 2 72.60 8.44 1.3023 8 0 0 73.62 2.88 1.2867 6 7 0 74.44 1.79 1.2746 6 6 2 75.25 3.92 1.2627 3 8 3 75.38 2.59 1.2610 3 2 5 76.13 1.16 1.2503 8 3 0 76.46 5.73 1.2458 2 7 4 78.70 1.56 1.2159 2 10 2 78.85 1.05 1.2139 8 4 0 79.58 2.01 1.2046 6 2 4 79.70 1.67 1.2031 0 8 4 80.43 1.10 1.1940 5 9 1 81.50 1.89 1.1811 6 3 4 81.82 1.08 1.1772 3 9 3 82.32 2.33 1.1713 7 4 3 84.62 1.72 1.1453 8 4 2 85.45 1.55 1.1362 5 8 3 85.57 1.26 1.1350 5 2 5 86.30 1.94 1.1273 4 10 2 86.72 4.70 1.1229 2 11 2 86.95 4.12 1.1204 2 1 6 87.21 2.43 1.1178 0 12 0 87.58 3.94 1.1140 6 5 4 88.70 1.57 1.1028 2 9 4 89.98 1.56 1.0904 2 3 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.