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Materials Data on La2UTe5 by Materials Project

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DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1753045/
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ULa2Te5 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.16–3.31 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to seven Te2- atoms to form a mixture of distorted corner and edge-sharing LaTe7 pentagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.15–3.36 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of La–Te bond distances ranging from 3.25–3.38 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to one U4+ and four La3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent U4+ and three La3+ atoms. In the third Te2- site, Te2- is bonded to two equivalent U4+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing TeLa3U2 trigonal bipyramids. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to one U4+ and three La3+ atoms. In the fifth Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U4+ and two equivalent La3+ atoms. In the sixth Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent U4+ and two equivalent La3+ atoms.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2020-12-30
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