Materials Data on Y(CO2)4 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/1759412/
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资源简介：
Y(CO2)4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one Y(CO2)4 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.46 Å) Y–O bond lengths. C+3.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one C+3.25+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one C+3.25+ atom.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-16
