Kalipyrochlore Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060980 Ercit T S, Hawthorne F C, Cerny P The Canadian Mineralogist 32 (1994) 415-420 The structural chemistry of kalipyrochlore, a "hydropyrochlore" CELL PARAMETERS: 10.5880 10.5880 10.5880 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Nb 0.00000 0.00000 0.00000 0.900 2.045 Ti 0.00000 0.00000 0.00000 0.100 2.045 Sr 0.50000 0.50000 0.50000 0.050 0.332 Ca 0.50000 0.50000 0.50000 0.010 0.332 Wa 0.51000 0.51000 0.51000 0.500 0.332 O 0.31200 0.12500 0.12500 0.680 1.255 OH 0.31200 0.12500 0.12500 0.320 1.255 Wa 0.39800 0.39800 0.33100 0.580 3.948 K 0.39800 0.39800 0.33100 0.100 3.948 Wa 0.40700 0.40700 0.40700 0.580 3.948 K 0.40700 0.40700 0.40700 0.100 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 195.0893123 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.49 40.96 6.1130 1 1 1 23.77 83.02 3.7434 2 2 0 27.95 100.00 3.1924 3 1 1 29.22 33.81 3.0565 2 2 2 37.01 5.86 2.4291 3 3 1 41.80 7.78 2.1613 4 2 2 44.46 7.49 2.0377 5 1 1 44.46 7.00 2.0377 3 3 3 48.65 24.76 1.8717 4 4 0 54.84 2.09 1.6741 6 2 0 57.04 2.86 1.6147 5 3 3 57.76 11.51 1.5962 6 2 2 60.59 1.58 1.5282 4 4 4 68.01 1.64 1.3784 7 3 1 71.25 1.44 1.3235 8 0 0 78.80 2.74 1.2145 6 6 2 81.27 2.83 1.1838 8 4 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.