Esseneite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R061123 Cosca M A, Peacor D R American Mineralogist 72 (1987) 148-156 Chemistry and structure of esseneite (CaFeAlSiO6), a new pyroxene produced by pyrometamorphism CELL PARAMETERS: 9.7630 8.7980 5.3512 90.000 105.810 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.09420 0.75000 0.580 0.457 Al 0.00000 0.09420 0.75000 0.420 0.457 Ca 0.00000 0.69180 0.75000 0.970 0.945 Fe 0.00000 0.69180 0.75000 0.030 0.945 Si 0.21170 0.40570 0.77640 0.540 0.303 Al 0.21170 0.40570 0.77640 0.460 0.303 O 0.38880 0.41230 0.86590 1.000 0.975 O 0.13660 0.24110 0.67990 1.000 1.215 O 0.14680 0.48020 0.01240 1.000 1.213 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 15.49712741 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.79 9.74 6.4214 1 1 0 18.89 9.86 4.6968 2 0 0 19.99 1.39 4.4408 -1 1 1 20.19 4.94 4.3990 0 2 0 27.79 10.55 3.2107 2 2 0 29.93 100.00 2.9855 -2 2 1 30.30 32.74 2.9500 3 1 0 30.82 18.60 2.9009 -3 1 1 34.85 41.32 2.5744 0 0 2 35.23 29.81 2.5477 -1 3 1 35.60 48.76 2.5217 2 2 1 38.33 1.84 2.3484 4 0 0 38.89 8.84 2.3160 3 1 1 40.09 12.24 2.2492 1 1 2 40.60 5.01 2.2219 0 2 2 41.04 1.28 2.1995 0 4 0 42.22 7.03 2.1405 3 3 0 42.62 18.19 2.1215 -3 3 1 42.96 13.54 2.1051 -4 2 1 44.50 9.74 2.0358 2 0 2 44.58 12.13 2.0325 -4 0 2 44.81 10.85 2.0227 0 4 1 45.91 6.15 1.9766 -1 3 2 46.97 1.21 1.9345 -2 4 1 49.04 2.62 1.8576 3 3 1 49.32 1.29 1.8476 2 2 2 49.62 2.68 1.8373 5 1 0 50.04 1.52 1.8226 1 3 2 51.34 1.95 1.7795 4 2 1 52.86 1.47 1.7319 3 1 2 52.94 12.30 1.7295 1 5 0 54.52 3.76 1.6831 -3 1 3 54.90 6.42 1.6723 0 4 2 55.17 1.72 1.6649 -1 5 1 55.84 16.27 1.6464 -2 2 3 56.83 14.50 1.6201 -5 3 1 57.40 6.35 1.6053 4 4 0 57.65 1.14 1.5989 0 2 3 58.33 1.69 1.5820 5 3 0 59.00 3.90 1.5656 6 0 0 60.13 7.58 1.5388 4 0 2 60.24 6.54 1.5363 -6 0 2 60.34 7.32 1.5340 3 5 0 60.71 3.70 1.5254 -6 2 1 60.99 14.08 1.5192 -1 3 3 61.30 2.28 1.5122 -4 2 3 63.44 3.61 1.4663 0 6 0 64.11 1.47 1.4525 4 2 2 65.59 15.95 1.4233 5 3 1 66.28 1.35 1.4103 0 6 1 66.37 6.32 1.4084 2 2 3 66.64 4.47 1.4034 1 5 2 66.68 10.40 1.4027 -3 5 2 67.84 1.41 1.3815 -2 4 3 70.57 6.07 1.3347 -7 1 2 70.82 4.71 1.3304 6 2 1 71.06 1.41 1.3266 7 1 0 71.19 3.73 1.3244 -5 3 3 72.10 1.22 1.3100 -1 1 4 72.14 4.03 1.3094 -3 1 4 73.58 3.21 1.2872 0 0 4 73.66 1.60 1.2861 -4 0 4 74.46 4.28 1.2741 0 6 2 74.48 1.44 1.2739 -2 6 2 75.39 1.83 1.2608 4 4 2 76.40 7.07 1.2466 3 5 2 78.31 2.19 1.2209 -1 7 1 79.87 2.62 1.2009 1 7 1 82.02 1.51 1.1748 -8 2 1 82.07 1.66 1.1742 8 0 0 83.16 3.45 1.1616 -6 0 4 86.55 1.05 1.1246 2 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.