Uvarovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060477 Wildner M, Andrut M American Mineralogist 86 (2001) 1231-1251 The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Ska-1 _database_code_amcsd 0002725 CELL PARAMETERS: 11.9204 11.9204 11.9204 90.000 90.000 90.000 SPACE GROUP: I-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.12514 -0.00024 0.25007 1.000 0.442 Ca 0.37506 -0.00017 0.74998 1.000 0.442 Ca 0.25012 0.12498 0.00000 1.000 0.442 Ca 0.75014 0.37491 -0.00009 1.000 0.442 Ca -0.00003 0.25016 0.12501 1.000 0.442 Ca 0.00011 0.75006 0.37495 1.000 0.442 Cr 0.00000 0.00000 0.00000 0.746 0.324 Al 0.00000 0.00000 0.00000 0.254 0.324 Cr 0.50000 0.00000 0.50000 0.347 0.292 Al 0.50000 0.00000 0.50000 0.653 0.292 Cr 0.00000 0.50000 0.50000 0.431 0.316 Al 0.00000 0.50000 0.50000 0.569 0.316 Cr 0.50000 0.50000 0.00000 0.526 0.292 Al 0.50000 0.50000 0.00000 0.474 0.292 Cr 0.75000 0.25000 0.25000 0.483 0.316 Al 0.75000 0.25000 0.25000 0.517 0.316 Cr 0.75000 0.75000 0.75000 0.722 0.308 Al 0.75000 0.75000 0.75000 0.278 0.308 Cr 0.25000 0.25000 0.75000 0.709 0.316 Al 0.25000 0.25000 0.75000 0.291 0.316 Cr 0.25000 0.75000 0.25000 0.280 0.276 Al 0.25000 0.75000 0.25000 0.720 0.276 Si 0.37519 -0.00085 0.25005 1.000 0.316 Si 0.12518 -0.00052 0.74975 1.000 0.316 Si 0.24957 0.37549 0.00001 1.000 0.316 Si 0.74930 0.12542 -0.00040 1.000 0.316 Si -0.00039 0.25029 0.37519 1.000 0.316 Si 0.00086 0.74925 0.12516 1.000 0.316 O 0.03883 0.04655 0.65277 1.000 0.442 O 0.46161 -0.04652 1.15259 1.000 0.418 O -0.03863 0.54557 -0.15223 1.000 0.450 O 0.53897 0.45257 -0.65358 1.000 0.426 O 0.65230 0.03907 0.04603 1.000 0.426 O 1.15216 0.46157 -0.04633 1.000 0.418 O -0.15311 -0.03832 0.54684 1.000 0.426 O -0.65379 0.53901 0.45298 1.000 0.434 O 0.04659 0.65203 0.03842 1.000 0.434 O -0.04678 1.15310 0.46142 1.000 0.434 O 0.54633 -0.15250 -0.03855 1.000 0.426 O 0.45357 -0.65371 0.53922 1.000 0.418 O 0.79631 0.28818 -0.40198 1.000 0.426 O 0.70326 0.71074 0.09667 1.000 0.434 O 0.29731 0.21101 1.40331 1.000 0.434 O 0.20406 0.78855 0.90276 1.000 0.434 O 0.78871 0.90351 0.20299 1.000 0.434 O 0.21081 1.40372 0.29664 1.000 0.418 O 0.71134 0.09825 0.70410 1.000 0.426 O 0.28853 -0.40247 0.79675 1.000 0.426 O 1.40345 0.29670 0.21078 1.000 0.426 O 0.90179 0.20424 0.78851 1.000 0.426 O -0.40363 0.79704 0.28885 1.000 0.442 O 0.09746 0.70340 0.71145 1.000 0.418 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 24.78926870 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 29.98 17.12 2.9801 4 0 0 29.98 17.11 2.9801 0 0 4 29.98 17.13 2.9801 0 4 0 33.62 8.21 2.6655 4 0 2 33.62 8.45 2.6655 4 2 0 33.62 8.25 2.6655 0 2 4 33.62 8.42 2.6655 0 4 2 33.62 8.50 2.6655 2 0 4 33.62 8.22 2.6655 2 4 0 33.62 8.23 2.6655 -4 0 2 33.62 8.49 2.6655 0 -4 2 33.62 8.45 2.6655 -4 2 0 33.62 8.18 2.6655 0 -2 4 33.62 8.41 2.6655 -2 0 4 33.62 8.21 2.6655 -2 4 0 36.94 3.24 2.4332 4 2 2 36.94 3.22 2.4332 2 4 2 36.94 3.26 2.4332 -2 4 2 36.94 3.27 2.4332 -4 -2 2 36.94 3.25 2.4332 -4 2 2 36.94 3.25 2.4332 2 -4 2 36.94 3.24 2.4332 2 -2 4 36.94 3.26 2.4332 2 2 4 36.94 3.27 2.4332 -2 -4 2 36.94 3.22 2.4332 -2 -2 4 36.94 3.26 2.4332 -2 2 4 36.94 3.24 2.4332 4 -2 2 46.99 1.01 1.9337 -1 -6 1 46.99 1.04 1.9337 6 1 1 46.99 1.14 1.9337 1 1 6 53.24 2.62 1.7206 4 4 4 53.24 2.65 1.7206 -4 -4 4 53.24 2.64 1.7206 -4 4 4 53.24 2.63 1.7206 4 -4 4 55.60 2.23 1.6531 4 0 6 55.60 2.25 1.6531 4 6 0 55.60 2.27 1.6531 6 0 4 55.60 2.20 1.6531 6 4 0 55.60 2.15 1.6531 -4 0 6 55.60 2.18 1.6531 0 -6 4 55.60 2.22 1.6531 0 -4 6 55.60 2.23 1.6531 -4 6 0 55.60 2.21 1.6531 -6 0 4 55.60 2.26 1.6531 0 4 6 55.60 2.20 1.6531 0 6 4 55.60 2.18 1.6531 -6 4 0 57.89 2.40 1.5929 4 -2 6 57.89 2.40 1.5929 -2 4 6 57.89 2.43 1.5929 4 2 6 57.89 2.44 1.5929 -2 6 4 57.89 2.45 1.5929 4 6 2 57.89 2.42 1.5929 6 -4 2 57.89 2.43 1.5929 -4 -6 2 57.89 2.44 1.5929 6 -2 4 57.89 2.44 1.5929 6 2 4 57.89 2.44 1.5929 6 4 2 57.89 2.43 1.5929 -6 -4 2 57.89 2.44 1.5929 -6 -2 4 57.89 2.41 1.5929 -4 6 2 57.89 2.45 1.5929 -6 2 4 57.89 2.47 1.5929 -6 4 2 57.89 2.44 1.5929 2 -6 4 57.89 2.43 1.5929 2 4 6 57.89 2.47 1.5929 2 6 4 57.89 2.41 1.5929 -2 -6 4 57.89 2.48 1.5929 4 -6 2 57.89 2.47 1.5929 -4 -2 6 57.89 2.47 1.5929 -4 2 6 57.89 2.47 1.5929 2 -4 6 57.89 2.47 1.5929 -2 -4 6 62.31 3.72 1.4900 8 0 0 62.31 3.72 1.4900 0 0 8 62.31 3.72 1.4900 0 8 0 70.68 1.09 1.3327 4 8 0 70.68 1.09 1.3327 4 0 8 70.68 1.09 1.3327 8 4 0 70.68 1.08 1.3327 0 4 8 70.68 1.10 1.3327 0 8 4 70.68 1.09 1.3327 8 0 4 70.68 1.09 1.3327 -8 0 4 70.68 1.10 1.3327 -8 4 0 70.68 1.09 1.3327 0 -8 4 70.68 1.10 1.3327 0 -4 8 70.68 1.09 1.3327 -4 8 0 70.68 1.10 1.3327 -4 0 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.