Materials Data on CuP4S3Br by Materials Project
收藏DataCite Commons2021-02-05 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1759411/
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资源简介：
CuBrP4S3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four tetraphosphorus trisulfide molecules and two CuBr ribbons oriented in the (1, 0, 0) direction. In each CuBr ribbon, there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a water-like geometry to two Br1- atoms. There are one shorter (2.45 Å) and one longer (2.50 Å) Cu–Br bond lengths. In the second Cu1+ site, Cu1+ is bonded in a water-like geometry to two Br1- atoms. There are one shorter (2.47 Å) and one longer (2.50 Å) Cu–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a bent 120 degrees geometry to two Cu1+ atoms. In the second Br1- site, Br1- is bonded in a bent 120 degrees geometry to two Cu1+ atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)创建时间：
2021-01-16
