A Comparison of Experimental and Theoretical Bond Length and Angle Variations for Minerals, Inorganic Solids, and Molecules

Author(s):  
G.V. GIBBS ◽  
E.P. MEAGHER ◽  
M.D. NEWTON ◽  
D.K. SWANSON
2017 ◽  
Author(s):  
Olivier Charles Gagné

Bond-length distributions have been examined for eighty-four configurations of the lanthanide ions and twenty-two configurations of the actinide ions bonded to oxygen. The lanthanide contraction for the trivalent lanthanide ions bonded to O<sup>2-</sup> is shown to vary as a function of coordination number and to diminish in scale with increasing coordination number.


Author(s):  
Olivier Charles Gagné ◽  
Frank Christopher Hawthorne

Bond-length distributions are examined for thirty-three configurations of the metalloid ions and fifty-six configurations of the post-transition-metal ions bonded to oxygen. Lone-pair stereoactivity is discussed.


Author(s):  
Olivier Charles Gagné ◽  
Frank Christopher Hawthorne

Bond-length distributions are examined for thirty-three configurations of the metalloid ions and fifty-six configurations of the post-transition-metal ions bonded to oxygen. Lone-pair stereoactivity is discussed.


Author(s):  
Olivier Charles Gagné ◽  
Frank Christopher Hawthorne

Bond-length distributions are examined for three configurations of the H+ ion, sixteen configurations of the group 14-16 non-metal ions and seven configurations of the group 17 ions bonded to oxygen. Lone-pair stereoactivity for ions bonded to O<sup>2-</sup> is discussed, as well as the polymerization of the PO<sub>4</sub> group.


2018 ◽  
Author(s):  
Yusuke Ishigaki ◽  
Takuya Shimajiri ◽  
Takashi Takeda ◽  
Ryo Katoono ◽  
Takanori Suzuki
Keyword(s):  

2006 ◽  
Vol 2 (3) ◽  
pp. 231-241 ◽  
Author(s):  
Margarita Darder ◽  
Ana Isabel Ruiz ◽  
Pilar Aranda ◽  
Henri Van Damme ◽  
Eduardo Ruiz-Hitzky
Keyword(s):  

Author(s):  
Gyuseung Han ◽  
In Won Yeu ◽  
Kun Hee Ye ◽  
Seung-Cheol Lee ◽  
Cheol Seong Hwang ◽  
...  

Through DFT calculations, a Be0.25Mg0.75O superlattice having long apical Be–O bond length is proposed to have a high bandgap (>7.3 eV) and high dielectric constant (∼18) at room temperature and above.


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