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Materials Data on K2P4PtClO11 by Materials Project

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DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1750631/
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资源简介:
K2PtP4O11Cl crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to six O2- and one Cl1- atom. There are a spread of K–O bond distances ranging from 2.75–3.27 Å. The K–Cl bond length is 3.57 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to nine O2- and one Cl1- atom. There are a spread of K–O bond distances ranging from 2.74–3.25 Å. The K–Cl bond length is 3.43 Å. Pt2+ is bonded in a single-bond geometry to one Cl1- atom. The Pt–Cl bond length is 2.24 Å. There are four inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.48–1.70 Å. In the second P+4.75+ site, P+4.75+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.69 Å. In the third P+4.75+ site, P+4.75+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.47 Å) and one longer (1.58 Å) P–O bond length. In the fourth P+4.75+ site, P+4.75+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.48–1.59 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one P+4.75+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one P+4.75+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one P+4.75+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one P+4.75+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.75+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two P+4.75+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one P+4.75+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one P+4.75+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one K1+ and one P+4.75+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+4.75+ atom. Cl1- is bonded in a distorted single-bond geometry to two K1+ and one Pt2+ atom.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2020-12-30
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