Materials Data on CuPb2(SCl)2 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/1750499/
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资源简介：
CuPb2(SCl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent S2- and four equivalent Cl1- atoms to form corner-sharing CuS2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–S bond lengths are 2.73 Å. All Cu–Cl bond lengths are 2.25 Å. Pb2+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent Cl1- atoms. There are one shorter (2.72 Å) and four longer (3.18 Å) Pb–S bond lengths. All Pb–Cl bond lengths are 3.47 Å. S2- is bonded to one Cu2+ and five equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing SCuPb5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. Cl1- is bonded in a linear geometry to two equivalent Cu2+ and four equivalent Pb2+ atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
