Materials Data on TiGeOs by Materials Project

doi:10.17188/1725030

Title: Materials Data on TiGeOs by Materials Project

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Abstract

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 geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1208195

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; TiGeOs; Ge-Os-Ti

OSTI Identifier:: 1725030

DOI:: https://doi.org/10.17188/1725030

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                    The Materials Project. Materials Data on TiGeOs by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1725030.

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                    The Materials Project. Materials Data on TiGeOs by Materials Project.  United States.  doi:https://doi.org/10.17188/1725030

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                    The Materials Project. 2019.  
"Materials Data on TiGeOs by Materials Project".  United States.  doi:https://doi.org/10.17188/1725030.  https://www.osti.gov/servlets/purl/1725030. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1725030,

  title        = {Materials Data on TiGeOs by Materials Project},

  author       = {The Materials Project},

  abstractNote = {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.},

  doi          = {10.17188/1725030},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1725030

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