Microlite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070100 Groult D, Michel C, Raveau B Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions _cod_database_code 1001267 _database_code_amcsd 0013048 CELL PARAMETERS: 10.4630 10.4630 10.4630 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Ta 0.00000 0.00000 0.00000 1.000 1.500 Ca 0.50000 0.50000 0.50000 0.250 1.300 O 0.37500 0.37500 0.37500 1.000 1.000 O 0.31600 0.12500 0.12500 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 235.3700991 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.66 100.00 6.0408 1 1 1 28.29 63.09 3.1547 3 1 1 29.58 78.57 3.0204 2 2 2 34.28 23.23 2.6158 4 0 0 37.47 12.98 2.4004 3 3 1 45.02 9.97 2.0136 5 1 1 45.02 9.17 2.0136 3 3 3 49.27 33.17 1.8496 4 4 0 51.69 17.42 1.7686 5 3 1 57.78 8.05 1.5956 5 3 3 58.52 28.80 1.5774 6 2 2 61.39 7.25 1.5102 4 4 4 63.50 6.21 1.4651 5 5 1 63.50 4.08 1.4651 7 1 1 68.94 8.79 1.3622 7 3 1 68.94 2.91 1.3622 5 5 3 72.24 4.10 1.3079 8 0 0 74.18 1.29 1.2783 7 3 3 79.30 3.78 1.2082 7 5 1 79.93 9.60 1.2002 6 6 2 82.45 8.05 1.1698 8 4 0 84.33 2.72 1.1485 7 5 3 84.33 1.66 1.1485 9 1 1 89.31 3.49 1.0968 9 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.