【正文】
多面體 +球鍵; (4) ICSD晶體結(jié)構(gòu)數(shù)據(jù)庫(kù)與 atoms61的聯(lián)用。Chang, . Reference RIST Yongu Nonmun (RIST Research Papers) (1998), 12, 116123 Unit Cell 90. 90. 90. Vol Z 4 Space Group P n m a SG Number 62 Cryst Sys orthorhombic Pearson oP20 Wyckoff d c2 b R Value .0309 Red Cell P 90 Trans Red / / Comments Rietveld profile refinement applied Xray diffraction (powder) At least one temperature factor missing in the paper. Atom OX SITE x y z SOF H Ca 1 +2 4 c 0 1. 0 Ti 1 +4 4 b 0 0 1. 0 O 1 2 4 c 1.