Zanazziite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100220 Rastsvetaeva R K, Rozenberg K A, Chukanov N V, Mockel S Crystallography Reports 54 (2009) 568-571 The crystal structure of an iron-rich variety of zanazziite belonging to heteropolyhedral framework roscherite-group beryllophosphates Locality: Sapucaia mine, Minas Gerais, Brazil _database_code_amcsd 0012416 CELL PARAMETERS: 15.8690 11.8550 6.5720 90.000 95.700 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.25940 0.25000 1.000 1.380 Mg 0.00000 0.00000 0.00000 0.650 0.460 Fe 0.00000 0.00000 0.00000 0.350 0.460 Mg 0.17140 0.16300 0.99580 0.480 1.250 Fe 0.17140 0.16300 0.99580 0.310 1.250 Al 0.17140 0.16300 0.99580 0.130 1.250 Mn 0.17140 0.16300 0.99580 0.090 1.250 Be 0.33270 0.17740 0.30320 1.000 1.200 P 0.18770 0.11620 0.47760 1.000 0.890 P 0.00000 0.27260 0.75000 1.000 1.010 O 0.35570 0.49810 0.50030 1.000 1.400 O 0.28250 0.09960 0.44990 1.000 1.300 O 0.14450 0.18260 0.29690 1.000 1.200 O 0.31960 0.31550 0.32470 1.000 1.100 O 0.45830 0.30020 0.07470 1.000 1.600 O 0.43430 0.15100 0.34160 1.000 1.400 Oh 0.29980 0.16420 0.06350 1.000 1.300 Wa 0.00000 0.04030 0.25000 0.500 1.600 OH 0.00000 0.04030 0.25000 0.500 1.600 O 0.09330 0.41970 0.21960 1.000 3.700 H 0.07700 0.48400 0.18000 1.000 3.000 H 0.17500 0.37700 0.98000 1.000 3.000 H 0.12400 0.42100 0.32000 1.000 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 10 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 10.93686354 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.33 100.00 9.4805 1 1 0 14.95 31.03 5.9275 0 2 0 16.00 1.65 5.5397 -1 1 1 18.44 9.40 4.8107 3 1 0 20.22 7.00 4.3918 0 2 1 22.50 1.00 3.9516 -2 2 1 22.52 2.98 3.9476 4 0 0 23.20 2.02 3.8334 1 3 0 23.94 2.55 3.7174 3 1 1 26.67 17.11 3.3425 -1 3 1 27.14 1.56 3.2857 4 2 0 27.25 2.06 3.2729 1 3 1 27.27 5.88 3.2698 0 0 2 28.24 36.95 3.1602 3 3 0 28.34 7.67 3.1495 -1 1 2 28.49 20.91 3.1329 -2 0 2 29.27 19.48 3.0517 5 1 0 29.40 1.15 3.0384 -4 2 1 29.42 24.30 3.0358 1 1 2 30.15 1.24 2.9637 0 4 0 30.62 19.55 2.9201 2 0 2 30.68 1.60 2.9143 -3 3 1 31.24 11.87 2.8630 0 2 2 31.47 4.18 2.8432 4 2 1 31.66 6.14 2.8261 -3 1 2 32.26 44.33 2.7747 2 4 0 32.32 6.37 2.7698 -2 2 2 33.19 1.35 2.6995 0 4 1 33.58 2.22 2.6690 5 1 1 34.07 34.36 2.6318 6 0 0 34.23 2.52 2.6195 2 2 2 34.68 1.69 2.5870 -2 4 1 35.59 2.37 2.5228 2 4 1 37.15 4.14 2.4198 -4 2 2 37.39 4.47 2.4053 6 2 0 37.96 6.59 2.3701 4 4 0 38.39 6.49 2.3447 1 5 0 38.42 2.98 2.3432 -3 3 2 39.67 3.64 2.2721 -4 4 1 40.50 1.18 2.2274 4 2 2 40.69 7.28 2.2175 -1 5 1 40.72 12.09 2.2160 7 1 0 41.11 5.85 2.1959 0 4 2 41.28 1.11 2.1869 4 4 1 41.87 1.45 2.1575 -6 0 2 41.96 1.39 2.1530 -2 4 2 41.97 10.84 2.1526 -1 1 3 42.41 1.27 2.1313 5 1 2 43.51 2.05 2.0801 2 4 2 44.43 5.05 2.0392 7 1 1 44.68 1.12 2.0280 3 5 1 44.70 5.88 2.0274 -6 2 2 44.71 4.21 2.0269 -2 2 3 45.93 3.48 1.9758 0 6 0 45.93 4.79 1.9758 -4 4 2 46.13 1.62 1.9679 6 4 0 46.39 1.03 1.9574 6 0 2 47.38 3.34 1.9189 -1 5 2 47.43 1.33 1.9167 2 6 0 47.48 1.68 1.9148 -1 3 3 47.88 1.61 1.8998 5 3 2 48.54 1.41 1.8756 1 3 3 48.62 1.12 1.8727 8 2 0 49.01 2.89 1.8587 6 2 2 50.94 1.59 1.7927 5 5 1 51.63 4.38 1.7704 3 5 2 51.66 4.23 1.7693 -8 0 2 51.74 1.85 1.7669 4 6 0 52.46 3.01 1.7443 -6 4 2 52.47 1.49 1.7440 -2 4 3 53.99 1.45 1.6984 5 1 3 54.09 3.49 1.6954 -8 2 2 54.24 4.80 1.6911 0 6 2 54.49 1.50 1.6839 1 7 0 54.94 1.23 1.6712 -2 6 2 55.55 3.00 1.6543 -4 4 3 55.97 10.90 1.6428 8 4 0 56.15 1.07 1.6381 9 1 1 56.21 1.33 1.6364 2 6 2 56.27 4.03 1.6349 -1 7 1 56.27 6.89 1.6349 0 0 4 56.33 1.59 1.6333 6 4 2 56.58 1.57 1.6266 1 7 1 56.83 1.04 1.6201 8 0 2 57.47 4.81 1.6036 9 3 0 57.80 2.05 1.5952 1 1 4 58.21 2.00 1.5849 1 5 3 58.40 2.28 1.5801 6 6 0 58.45 1.19 1.5791 10 0 0 59.10 1.26 1.5631 8 4 1 59.12 2.40 1.5628 8 2 2 61.59 1.22 1.5058 -7 5 2 61.75 1.26 1.5024 -5 1 4 62.11 2.41 1.4944 -9 3 2 62.20 1.17 1.4925 5 7 0 62.24 1.29 1.4917 -8 2 3 62.37 2.00 1.4888 -3 3 4 63.55 1.02 1.4639 0 6 3 63.56 1.19 1.4637 -3 7 2 63.89 2.18 1.4571 -6 6 2 63.99 1.45 1.4550 -6 0 4 64.91 1.02 1.4365 -10 2 2 65.22 4.70 1.4306 -2 4 4 65.87 2.56 1.4180 3 3 4 67.34 1.84 1.3906 6 6 2 67.50 1.65 1.3875 2 4 4 69.28 1.11 1.3563 -11 1 2 69.39 1.28 1.3544 7 7 0 70.27 2.87 1.3395 -1 7 3 70.80 4.27 1.3308 6 0 4 71.11 1.54 1.3258 1 7 3 71.73 1.02 1.3159 12 0 0 71.96 1.02 1.3121 -7 3 4 72.05 1.39 1.3108 7 7 1 72.11 1.25 1.3098 4 4 4 73.37 1.14 1.2904 -11 3 2 79.16 1.96 1.2099 -8 4 4 80.21 1.38 1.1967 -10 0 4 81.65 1.19 1.1792 -1 7 4 87.61 1.37 1.1137 8 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.