Materials Data on Pr3Nb(ClO2)3 by Materials Project
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https://www.osti.gov/servlets/purl/1754158/
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资源简介：
Pr3Nb(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Pr+3.33+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Pr–O bond distances ranging from 2.43–2.67 Å. There are a spread of Pr–Cl bond distances ranging from 3.02–3.09 Å. Nb5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Nb–O bond lengths are 2.01 Å. O2- is bonded to three equivalent Pr+3.33+ and one Nb5+ atom to form a mixture of distorted edge and corner-sharing OPr3Nb tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr+3.33+ atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
