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Materials Data on Pt(NCl)4 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/1751838/
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资源简介:
Pt(NCl)4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Pt(NCl)4 sheets oriented in the (0, 0, 1) direction. Pt2+ is bonded in an octahedral geometry to four equivalent N+0.50+ and two equivalent Cl1- atoms. All Pt–N bond lengths are 1.96 Å. Both Pt–Cl bond lengths are 2.40 Å. N+0.50+ is bonded in a distorted T-shaped geometry to one Pt2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.13 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent N+0.50+ atoms.
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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