Materials Data on Gd3Cu2Te7 by Materials Project
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https://www.osti.gov/servlets/purl/1759268/
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资源简介：
Gd3Cu2Te7 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight Te+1.86- atoms. There are a spread of Gd–Te bond distances ranging from 3.05–3.28 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight Te+1.86- atoms. There are a spread of Gd–Te bond distances ranging from 3.00–3.28 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight Te+1.86- atoms. There are a spread of Gd–Te bond distances ranging from 3.05–3.28 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted tetrahedral geometry to four Te+1.86- atoms. There are a spread of Cu–Te bond distances ranging from 2.61–2.73 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four Te+1.86- atoms. There are a spread of Cu–Te bond distances ranging from 2.54–2.68 Å. There are six inequivalent Te+1.86- sites. In the first Te+1.86- site, Te+1.86- is bonded in a 4-coordinate geometry to four Gd3+ atoms. In the second Te+1.86- site, Te+1.86- is bonded to four Gd3+ and one Cu2+ atom to form a mixture of edge and corner-sharing TeGd4Cu trigonal bipyramids. In the third Te+1.86- site, Te+1.86- is bonded in a 6-coordinate geometry to four Gd3+ and two Cu2+ atoms. In the fourth Te+1.86- site, Te+1.86- is bonded to four Gd3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing TeGd4Cu trigonal bipyramids. In the fifth Te+1.86- site, Te+1.86- is bonded in a 4-coordinate geometry to two Gd3+ and two Cu2+ atoms. In the sixth Te+1.86- site, Te+1.86- is bonded in a 4-coordinate geometry to four Gd3+ atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-16
