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Calcite__R050048-1__Powder__DIF_File__4109.txt
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Calcite
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Diffraction data computed using the structure from the paper listed below,
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along with the cell parameters refined from the powder pattern of R050048
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Graf D L
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American Mineralogist 46 (1961) 1283-1316
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Crystallographic tables for the rhombohedral carbonates
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CELL PARAMETERS: 4.9793 4.9793 17.0244 90.000 90.000 120.000
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SPACE GROUP: R-3c
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ATOM X Y Z OCCUPANCY ISO(B)
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Ca 0.00000 0.00000 0.00000 1.000 1.300
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C 0.00000 0.00000 0.25000 1.000 0.300
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O 0.25780 0.00000 0.25000 1.000 1.000
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X-RAY WAVELENGTH: 1.541838
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BOUNDS ON TWO THETA: 5.0 90.0
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LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 15
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MAX. ABS. INTENSITY / VOLUME**2: 26.67347400
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The INTENSITY cut off value is 1.00
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2-THETA INTENSITY D-SPACING H K L
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23.12 8.11 3.8468 0 1 2
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29.49 100.00 3.0292 1 0 4
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31.53 2.42 2.8374 0 0 6
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36.08 13.71 2.4897 1 1 0
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39.53 20.12 2.2799 1 1 3
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43.29 14.24 2.0901 2 0 2
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47.26 6.15 1.9234 0 2 4
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47.65 19.63 1.9083 0 1 8
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48.65 19.98 1.8714 1 1 6
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56.74 3.72 1.6224 2 1 1
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57.58 9.16 1.6008 1 2 2
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60.86 5.27 1.5221 2 1 4
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61.19 2.40 1.5146 2 0 8
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61.57 3.17 1.5062 1 1 9
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63.26 2.28 1.4701 1 2 5
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64.87 6.82 1.4374 3 0 0
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65.83 3.89 1.4187 0 0 12
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69.42 1.50 1.3539 2 1 7
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70.48 2.12 1.3361 0 2 10
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73.14 2.69 1.2939 1 2 8
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77.43 1.92 1.2326 1 1 12
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81.81 2.23 1.1773 2 1 10
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84.07 1.57 1.1514 1 3 4
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================================================================================
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
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For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.
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Calcite__R050048-1__Powder__Xray_Data_XY_RAW__541.txt
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The diff for this file is too large to render.
See raw diff
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