Indialite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140777 Schwartz K B, Leong D B, McConville R L Physics and Chemistry of Minerals 20 (1994) 563-574 Structural chemistry of synthetic cordierite: evidence for solid solutions and disordered compositional domains in Bi-flux-grown Mg-cordierites Sample: Synthesized in 2 at% bismuth oxide flux at 1000 C for 12 hours Note: tetrahedral site occupancies are assumed, not refined _database_code_amcsd 0007855 CELL PARAMETERS: 9.8040 9.8040 9.3170 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) Mg 0.33333 0.66667 0.25000 1.000 1.000 Al 0.50000 0.50000 0.25000 0.667 1.600 Si 0.50000 0.50000 0.25000 0.333 1.600 Al 0.37170 0.26610 0.00000 0.333 0.700 Si 0.37170 0.26610 0.00000 0.667 0.700 O 0.48555 0.34965 0.14431 1.000 1.100 O 0.23030 0.30860 0.00000 1.000 2.500 Bi 0.00000 0.00000 0.25000 0.107 32.000 Bi 0.00000 0.00000 0.00000 0.061 17.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 9.357009762 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.42 92.55 8.4905 1 0 0 18.10 16.46 4.9020 1 1 0 19.05 12.12 4.6585 0 0 2 20.93 4.20 4.2453 2 0 0 21.76 51.29 4.0841 1 0 2 26.39 66.17 3.3769 1 1 2 27.80 2.98 3.2091 2 1 0 28.45 73.16 3.1378 2 0 2 29.44 100.00 3.0342 2 1 1 31.61 1.87 2.8302 3 0 0 33.92 27.71 2.6427 2 1 2 36.67 7.73 2.4510 2 2 0 37.17 2.99 2.4188 3 0 2 38.22 1.02 2.3548 3 1 0 38.66 11.97 2.3293 0 0 4 39.47 2.54 2.2831 3 1 1 40.14 1.01 2.2463 1 0 4 40.42 3.13 2.2317 2 1 3 41.64 4.99 2.1691 2 2 2 42.99 3.71 2.1038 1 1 4 43.04 10.99 2.1016 3 1 2 44.36 1.67 2.0421 2 0 4 46.63 5.00 1.9479 3 2 0 47.05 4.37 1.9316 4 0 2 47.70 1.48 1.9066 3 2 1 48.52 15.38 1.8764 3 1 3 49.18 6.59 1.8528 4 1 0 50.20 5.53 1.8172 4 1 1 50.76 9.03 1.7985 3 0 4 53.20 2.05 1.7216 4 1 2 54.00 8.96 1.6981 5 0 0 54.33 25.23 1.6884 2 2 4 55.49 1.87 1.6560 3 1 4 55.70 2.61 1.6502 3 2 3 56.30 2.49 1.6340 3 3 0 57.16 1.95 1.6114 2 1 5 57.43 4.53 1.6046 4 2 0 57.96 10.98 1.5911 4 1 3 59.53 2.66 1.5528 0 0 6 60.00 3.05 1.5419 3 3 2 62.12 7.70 1.4942 3 2 4 62.77 3.40 1.4803 1 1 6 63.68 1.64 1.4612 3 1 5 63.83 2.66 1.4583 2 0 6 64.27 7.38 1.4493 5 1 2 66.02 1.93 1.4151 6 0 0 66.94 4.80 1.3978 2 1 6 69.09 3.33 1.3596 5 2 0 69.41 12.02 1.3540 6 0 2 69.92 6.31 1.3453 5 2 1 71.38 7.78 1.3214 4 2 4 71.86 3.04 1.3139 4 1 5 71.99 2.90 1.3117 2 2 6 72.41 2.78 1.3051 5 2 2 72.98 2.64 1.2964 3 1 6 74.53 5.76 1.2732 4 3 3 75.92 2.04 1.2533 4 0 6 76.48 1.73 1.2455 5 2 3 77.66 6.09 1.2294 2 1 7 80.16 3.87 1.1973 4 3 4 81.15 1.17 1.1852 4 4 2 82.08 4.46 1.1742 5 2 4 82.90 3.26 1.1646 0 0 8 86.45 1.68 1.1256 3 3 6 89.16 1.80 1.0983 5 2 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.