Materials Data on PtBr3N2 by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1756939/
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资源简介：
PtN2Br3 crystallizes in the orthorhombic Fddd space group. The structure is one-dimensional and consists of eight PtN2Br3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a distorted linear geometry to two equivalent N1- and four Br1- atoms. Both Pt–N bond lengths are 1.81 Å. There are two shorter (2.52 Å) and two longer (3.02 Å) Pt–Br bond lengths. In the second Pt5+ site, Pt5+ is bonded in a distorted octahedral geometry to two equivalent N1- and four Br1- atoms. Both Pt–N bond lengths are 1.84 Å. There are two shorter (2.55 Å) and two longer (2.57 Å) Pt–Br bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Br1- site, Br1- is bonded in a distorted linear geometry to two Pt5+ atoms. The Br–Pt bond length is 2.57 Å.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
