Holtite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061049 Hoskins B F, Mumme W G, Pryce M W Mineralogical Magazine 53 (1989) 457-463 Holtite, (Si2.25Sb0.75)B[Al6(Al0.43 Ta0.27[]0.30)O15(O,OH)2.25]: crystal structure and crystal chemistry Locality: Greenbrushes, Australia _database_code_amcsd 0014489 CELL PARAMETERS: 4.6914 11.8960 20.3830 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Al 0.40520 0.75000 0.24990 0.430 0.487 Ta 0.40520 0.75000 0.24990 0.270 0.487 Al 0.55710 0.61070 0.47350 1.000 0.361 Al 0.05880 0.48990 0.43150 1.000 0.374 Al 0.06030 0.35930 0.29020 1.000 0.626 Si 0.08780 0.75000 0.40770 0.750 0.345 Sb 0.11500 0.75000 0.38230 0.250 0.337 Si 0.58900 0.52160 0.32940 0.750 0.384 Sb 0.61170 0.56320 0.31640 0.250 0.271 B 0.22520 0.25000 0.41580 1.000 0.324 O 0.37980 0.75000 0.45720 1.000 0.500 O 0.16180 0.75000 0.33050 0.750 0.863 O 0.89060 0.63770 0.42430 1.000 0.487 O 0.40160 0.43480 0.28150 1.000 0.529 O 0.39220 0.55110 0.39420 1.000 0.479 O 0.88370 0.45040 0.35180 1.000 0.600 O 0.66080 0.63330 0.28860 0.750 0.811 O 0.17290 0.25000 0.34990 1.000 0.637 O 0.25310 0.35080 0.44770 1.000 0.503 O 0.76200 0.25000 0.27340 1.000 0.708 O 0.74980 0.46700 0.48830 1.000 0.432 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 10 +/- 18 MAX. ABS. INTENSITY / VOLUME**2: 12.41035731 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.61 100.00 10.2742 0 1 1 8.68 33.02 10.1915 0 0 2 14.89 9.28 5.9480 0 2 0 15.02 14.54 5.8999 0 1 3 17.26 19.12 5.1371 0 2 2 17.40 10.76 5.0957 0 0 4 20.81 6.04 4.2676 1 1 1 20.84 2.99 4.2616 1 0 2 22.16 2.31 4.0119 1 1 2 22.85 5.72 3.8924 0 3 1 22.98 5.29 3.8698 0 2 4 23.06 5.41 3.8564 0 1 5 24.56 6.30 3.6248 1 2 1 25.72 35.56 3.4642 1 2 2 25.81 20.56 3.4514 1 0 4 26.02 4.91 3.4247 0 3 3 26.23 1.41 3.3972 0 0 6 26.90 11.84 3.3147 1 1 4 27.54 47.28 3.2382 1 2 3 29.02 30.31 3.0772 1 0 5 29.83 6.99 2.9956 1 3 1 29.93 3.96 2.9852 1 2 4 29.99 5.62 2.9791 1 1 5 30.05 11.00 2.9740 0 4 0 30.30 29.46 2.9499 0 2 6 30.80 42.24 2.9030 1 3 2 31.33 2.16 2.8549 0 4 2 31.47 6.57 2.8424 0 3 5 31.63 3.37 2.8284 0 1 7 32.37 5.41 2.7661 1 3 3 32.54 1.60 2.7515 1 0 6 32.77 4.87 2.7331 1 2 5 33.43 18.76 2.6807 1 1 6 34.45 2.39 2.6034 1 3 4 34.93 5.89 2.5686 0 4 4 35.22 2.53 2.5479 0 0 8 36.03 9.25 2.4930 1 4 1 36.31 3.97 2.4740 1 0 7 36.85 5.48 2.4388 1 4 2 36.98 7.44 2.4310 1 3 5 37.12 5.91 2.4222 1 1 7 38.08 11.43 2.3632 0 5 1 38.20 5.05 2.3560 1 4 3 38.35 11.99 2.3470 0 3 7 38.37 3.33 2.3457 2 0 0 38.44 11.14 2.3420 0 2 8 38.64 2.78 2.3303 2 0 1 39.40 1.31 2.2869 2 1 1 39.42 1.01 2.2859 2 0 2 40.02 4.16 2.2530 1 4 4 40.17 1.17 2.2449 2 1 2 40.28 3.02 2.2390 1 0 8 40.30 1.63 2.2377 0 4 6 40.55 1.23 2.2248 0 1 9 41.02 3.04 2.2004 1 1 8 41.38 1.92 2.1821 2 2 0 41.42 3.24 2.1797 2 1 3 41.62 1.42 2.1697 2 2 1 42.26 3.25 2.1385 1 4 5 42.85 12.18 2.1105 1 5 1 43.10 10.27 2.0990 1 3 7 43.13 5.16 2.0974 2 1 4 43.17 11.63 2.0954 1 2 8 43.56 5.39 2.0776 2 2 3 43.57 2.67 2.0774 1 5 2 44.57 3.63 2.0331 2 0 5 44.74 1.76 2.0254 1 5 3 44.88 1.10 2.0197 1 4 6 44.90 6.77 2.0189 2 3 0 45.10 1.95 2.0102 1 1 9 45.13 2.88 2.0091 2 3 1 45.20 2.15 2.0060 2 2 4 45.25 3.33 2.0041 2 1 5 45.76 3.25 1.9827 0 6 0 45.82 9.97 1.9804 2 3 2 46.16 3.16 1.9666 0 3 9 46.67 4.10 1.9462 0 6 2 46.95 2.93 1.9353 2 3 3 46.96 3.23 1.9349 0 4 8 47.10 2.91 1.9293 1 2 9 47.13 1.92 1.9282 0 2 10 47.25 8.21 1.9239 2 2 5 47.73 6.96 1.9053 2 1 6 48.50 11.92 1.8770 2 3 4 49.35 1.35 1.8468 1 1 10 49.93 10.55 1.8267 2 0 7 50.15 2.25 1.8190 1 6 1 50.73 1.04 1.7997 1 5 6 51.40 15.28 1.7776 2 4 3 52.40 4.27 1.7462 2 2 7 52.74 3.81 1.7356 2 3 6 52.86 1.61 1.7321 2 4 4 54.16 1.13 1.6936 0 7 1 54.58 2.50 1.6813 0 4 10 54.69 5.37 1.6784 2 4 5 54.97 2.16 1.6704 2 5 0 55.10 1.94 1.6667 1 6 5 55.17 3.42 1.6648 2 5 1 55.38 4.27 1.6591 2 3 7 55.44 4.31 1.6574 2 2 8 55.51 2.86 1.6553 1 2 11 55.77 1.31 1.6484 2 5 2 56.43 4.02 1.6305 1 5 8 56.48 3.63 1.6293 2 0 9 56.75 2.50 1.6221 2 5 3 56.87 2.99 1.6191 2 4 6 57.05 1.95 1.6142 2 1 9 57.27 2.05 1.6086 1 6 6 58.11 3.97 1.5873 2 5 4 58.47 3.47 1.5785 1 7 2 58.87 4.69 1.5686 0 7 5 59.03 4.29 1.5647 0 6 8 59.42 1.10 1.5554 1 7 3 59.46 6.58 1.5545 0 1 13 59.72 1.82 1.5485 1 5 9 59.77 4.53 1.5472 1 6 7 59.97 1.61 1.5425 1 2 12 60.69 2.58 1.5259 2 1 10 61.40 1.06 1.5101 2 6 1 61.90 3.68 1.4990 2 5 6 62.04 1.10 1.4960 3 2 2 62.45 2.51 1.4871 1 0 13 62.46 3.85 1.4870 0 8 0 62.71 4.62 1.4815 1 3 12 62.88 2.78 1.4780 2 6 3 63.02 6.24 1.4750 0 4 12 63.26 6.58 1.4700 1 5 10 64.04 1.46 1.4540 2 0 11 64.18 4.64 1.4511 3 3 1 64.24 4.57 1.4499 3 2 4 64.28 5.22 1.4492 3 1 5 64.44 1.91 1.4459 1 7 6 64.60 1.54 1.4427 1 2 13 65.02 3.64 1.4344 2 3 10 65.30 4.06 1.4289 2 4 9 65.79 3.28 1.4195 2 6 5 66.07 1.28 1.4141 1 8 1 66.16 5.13 1.4125 2 2 11 66.61 1.25 1.4040 1 8 2 66.99 3.65 1.3969 2 5 8 67.50 2.43 1.3876 1 8 3 68.05 1.31 1.3777 3 0 7 68.40 1.35 1.3715 3 4 2 68.48 1.73 1.3701 3 3 5 68.69 1.36 1.3665 2 4 10 68.84 4.14 1.3638 2 7 2 68.93 2.59 1.3622 0 8 6 69.10 2.42 1.3593 0 7 9 69.28 1.76 1.3563 3 4 3 69.64 1.89 1.3501 0 1 15 70.50 8.78 1.3357 3 4 4 70.68 4.64 1.3328 3 0 8 72.15 1.31 1.3092 0 5 13 72.34 1.23 1.3063 2 4 11 72.41 2.66 1.3052 1 0 15 73.02 1.11 1.2958 2 1 13 73.27 2.36 1.2920 2 5 10 74.41 2.04 1.2749 1 2 15 74.44 3.33 1.2745 1 8 7 74.52 1.62 1.2733 2 2 13 75.62 2.12 1.2575 1 7 10 76.56 2.17 1.2444 3 5 5 76.83 1.08 1.2407 3 0 10 77.25 2.15 1.2350 2 8 3 79.66 1.04 1.2036 0 9 7 80.64 1.14 1.1914 1 9 6 80.79 2.44 1.1896 0 10 0 81.45 1.81 1.1816 0 10 2 81.51 1.00 1.1809 2 3 14 81.59 4.97 1.1800 0 5 15 82.13 2.51 1.1735 0 6 14 82.19 1.38 1.1729 4 0 0 82.22 1.43 1.1725 2 6 11 82.35 1.34 1.1710 0 4 16 82.84 2.03 1.1653 4 1 1 82.85 1.23 1.1652 4 0 2 83.34 1.45 1.1596 4 1 2 83.88 2.08 1.1535 2 2 15 85.05 1.83 1.1406 2 7 10 85.86 1.35 1.1319 3 5 9 86.68 1.68 1.1232 2 9 4 89.17 1.06 1.0983 4 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.