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Title: Materials Data on Gd(SiAg)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196598· OSTI ID:1196598

Gd(AgSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to eight equivalent Si4- atoms to form GdSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent GdSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent GdSi8 hexagonal bipyramids. All Gd–Si bond lengths are 3.18 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent GdSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent GdSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.60 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.31 Å.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1196598
Report Number(s):
mp-21287
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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