Research Article
Ultrafast Hydro-Micromechanical Synthesis of Calcium Zincate: Structural and Morphological Characterizations
Table 3
Data collection and single crystal structure refinement parameters for CaZn2(OH)6,2H2O.
| | Theta range for data collection | 3.27 to 33.18° | | Index ranges | −9 ≤ ≤ 9, −16 ≤ ≤ 16, −8 ≤ ≤ 8 | | Reflections collected | 24958 | | Independent reflections | 1497 [(int) = 0.0471] | | Coverage of independent reflections | 100.0% | | Absorption correction | Numerical | | Refinement method | Full-matrix least-squares on | | Refinement program | SHELXL-2014/7 (Sheldrick, 2014) | | Function minimized | | | Data/restraints/parameters | 1497/0/72 | | Goodness-of-fit on | 1.153 | | Final indices | 1469 data; , = 0.0150, = 0.0365 | | all data; = 0.0153, = 0.0368 | | Weighting scheme | = 1/[σ2() + (0.0187)2 + 0.1107]
where = ( + 2)/3 | | Largest diff. peak and hole | 0.605 and −0.540 eÅ−3 | | RMS deviation from mean | 0.159 eÅ−3 |
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