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Materials Data on PbO by Materials Project

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DataCite Commons2023-01-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1281794/
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资源简介:
PbO is lead oxide-like structured and crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one PbO sheet oriented in the (1, 0, 0) direction. there are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.37 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.37 Å. In the third Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.38 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.34 Å) and two longer (2.37 Å) Pb–O bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.33 Å) and two longer (2.38 Å) Pb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2016-08-05
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