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Title: Materials Data on TiGeIr by Materials Project

Abstract

TiIrGe 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 11-coordinate geometry to six Ir and five Ge atoms. There are a spread of Ti–Ir bond distances ranging from 2.78–2.92 Å. There are a spread of Ti–Ge bond distances ranging from 2.71–2.99 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to four Ir and six Ge atoms. There are two shorter (2.93 Å) and two longer (3.16 Å) Ti–Ir bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.61–3.20 Å. In the third Ti site, Ti is bonded in a 9-coordinate geometry to four Ir and five Ge atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Ti–Ir bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.69–2.81 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four Ti, one Ir, and four Ge atoms. The Ir–Ir bond length is 2.89 Å. There are a spread of Ir–Ge bond distances ranging from 2.52–2.54 Å. In the secondmore » Ir site, Ir is bonded in a 12-coordinate geometry to six Ti, two equivalent Ir, and four Ge atoms. There are two shorter (2.50 Å) and two longer (2.55 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four Ti and six Ir atoms.« less

Publication Date:
Other Number(s):
mp-1105606
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TiGeIr; Ge-Ir-Ti
OSTI Identifier:
1676829
DOI:
https://doi.org/10.17188/1676829

Citation Formats

The Materials Project. Materials Data on TiGeIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676829.
The Materials Project. Materials Data on TiGeIr by Materials Project. United States. doi:https://doi.org/10.17188/1676829
The Materials Project. 2020. "Materials Data on TiGeIr by Materials Project". United States. doi:https://doi.org/10.17188/1676829. https://www.osti.gov/servlets/purl/1676829. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676829,
title = {Materials Data on TiGeIr by Materials Project},
author = {The Materials Project},
abstractNote = {TiIrGe 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 11-coordinate geometry to six Ir and five Ge atoms. There are a spread of Ti–Ir bond distances ranging from 2.78–2.92 Å. There are a spread of Ti–Ge bond distances ranging from 2.71–2.99 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to four Ir and six Ge atoms. There are two shorter (2.93 Å) and two longer (3.16 Å) Ti–Ir bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.61–3.20 Å. In the third Ti site, Ti is bonded in a 9-coordinate geometry to four Ir and five Ge atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Ti–Ir bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.69–2.81 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four Ti, one Ir, and four Ge atoms. The Ir–Ir bond length is 2.89 Å. There are a spread of Ir–Ge bond distances ranging from 2.52–2.54 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to six Ti, two equivalent Ir, and four Ge atoms. There are two shorter (2.50 Å) and two longer (2.55 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four Ti and six Ir atoms.},
doi = {10.17188/1676829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}