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Materials Data on TiGeOs by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1725030· OSTI ID:1725030
TiOsGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to two equivalent Os and five Ge atoms. Both Ti–Os bond lengths are 2.88 Å. There are two shorter (2.66 Å) and three longer (2.68 Å) Ti–Ge bond lengths. In the second Ti site, Ti is bonded in a 9-coordinate geometry to four Os and five Ge atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Ti–Os bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.68–2.75 Å. In the third Ti site, Ti is bonded in a 11-coordinate geometry to six Os and five Ge atoms. There are four shorter (2.77 Å) and two longer (2.91 Å) Ti–Os bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.69–3.02 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a 12-coordinate geometry to four Ti and four Ge atoms. There are two shorter (2.53 Å) and two longer (2.54 Å) Os–Ge bond lengths. In the second Os site, Os is bonded in a 8-coordinate geometry to four Ti and four Ge atoms. There are a spread of Os–Ge bond distances ranging from 2.48–2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to three Ti and six Os atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Os atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1725030
Report Number(s):
mp-1208195
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Ge-Os-Ti
TiGeOs
crystal structure