Revised Effective Ionic Radii and Systematic Studies of Interatomie Distances in Halides and Chaleogenides
Revised Effective Ionic Radii and Systematic Studies of Interatomie Distances in Halides and Chaleogenides
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发表时间：
2001
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通讯作者：
D. R.
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作者：
D. R.
Shannon & Prewitt [Acta Cryst.（1969），B25，925-945]的有效离子半径被修正以包括更多不寻常的氧化态和配位。修订是基于新的结构数据，经验键强度键长关系，和（1）半径与体积，（2）半径与配位数，（3）半径与氧化态的曲线。影响半径加和性的因素有多面体畸变、阳离子位置的部分占据、共价性和金属性。平均NbS ~+-O和Mo ~（6+）-O八面体间距与畸变成线性关系。阳离子占有率的降低以可预测的方式增加了平均Li+-O、Na+-O和Ag+-O距离。当X或M的电负性降低时，共价强烈缩短Fe 2 +-X、Co 2 +-X、Ni 2 +-X、Mn 2 +-X、Cu+-X、Ag+-X和M-H键。对于Zn 2 +-X、Cd 2 +-X、In 3 +-X、Pb 2 +-X和TI+-X观察到较小的影响。具有离域电子和金属特征的键，例如Sm-S，V-S和Re-O，明显短于具有局域电子的类似键。
The effective ionic radii of Shannon & Prewitt [Acta Cryst. (1969), B25, 925-945] are revised to include more unusual oxidation states and coordinations. Revisions are based on new structural data, empirical bond strength-bond length relationships, and plots of (1) radii vs volume, (2) radii vs coordination number, and (3) radii vs oxidation state. Factors which affect radii additivity are polyhedral distortion, partial occupancy of cation sites, covalence, and metallic character. Mean NbS+-O and Mo6+-O octahedral distances are linearly dependent on distortion. A decrease in cation occupancy increases mean Li+-O, Na+-O, and Ag+-O distances in a predictable manner. Covalence strongly shortens Fe2+-X, Co2+-X, Ni2+-X, Mn2+-X, Cu+-X, Ag+-X, and M-Hbonds as the electronegativity of X or M decreases. Smaller effects are seen for Zn2+-X, Cd2+-X, In3+-X, pb2+-X, and TI+-X. Bonds with delocalized electrons and therefore metallic character, e.g. Sm-S, V-S, and Re-O, are significantly shorter than similar bonds with localized electrons.