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Title: Materials Data on GeAs by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313324· OSTI ID:1313324

GeAs is Hittorf-derived structured and crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two GeAs ribbons oriented in the (0, 1, 0) direction. there are three inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.48 Å) and two longer (2.49 Å) Ge–As bond lengths. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.49 Å) and two longer (2.50 Å) Ge–As bond lengths. In the third Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.50 Å) and one longer (2.52 Å) Ge–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted T-shaped geometry to three Ge3+ atoms. In the second As3- site, As3- is bonded in a distorted T-shaped geometry to three Ge3+ atoms. In the third As3- site, As3- is bonded in a distorted T-shaped geometry to three Ge3+ atoms.

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:
1313324
Report Number(s):
mp-9548
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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