Materials Data on GaRe2(CO)9 by Materials Project

doi:10.17188/1280999

Title: Materials Data on GaRe2(CO)9 by Materials Project

Abstract

(Re)2Ga(CO)9 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of one hundred and forty-four formaldehyde molecules, sixteen gallium molecules, and thirty-two rhenium molecules.

Publication Date:: 2014-05-09

Other Number(s):: mp-650814

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; GaRe2(CO)9; C-Ga-O-Re

OSTI Identifier:: 1280999

DOI:: https://doi.org/10.17188/1280999

Citation Formats


                    The Materials Project. Materials Data on GaRe2(CO)9 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1280999.

Copy to clipboard


                    The Materials Project. Materials Data on GaRe2(CO)9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280999

Copy to clipboard


                    The Materials Project. 2014.  
"Materials Data on GaRe2(CO)9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280999.  https://www.osti.gov/servlets/purl/1280999. Pub date:Fri May 09 00:00:00 EDT 2014

Copy to clipboard


                    
@article{osti_1280999,

  title        = {Materials Data on GaRe2(CO)9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Re)2Ga(CO)9 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of one hundred and forty-four formaldehyde molecules, sixteen gallium molecules, and thirty-two rhenium molecules.},

  doi          = {10.17188/1280999},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1280999

Save / Share:

Export Metadata

Save to My Library

The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Os2Pt(CO)9 by Materials Project

Dataset The Materials Project

(Os(CO)4)2PtCO crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of sixteen Os(CO)4 clusters and eight PtCO clusters. In four of the Os(CO)4 clusters, Os2- is bonded in a distorted rectangular see-saw-like geometry to four C+2.22+ atoms. There are a spread of Os–C bond distances ranging from 1.91–1.97 Å. There are four inequivalent C+2.22+ sites. In the first C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.22+ site, C+2.22+ is bonded in a linear geometry to onemore »« less
Materials Data on Mn2In(CO)9 by Materials Project

Dataset The Materials Project

Mn2In(CO)9 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of eight Mn2In(CO)9 clusters. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a square pyramidal geometry to one In2+ and five C+1.33+ atoms. The Mn–In bond length is 2.63 Å. There are a spread of Mn–C bond distances ranging from 1.82–1.87 Å. In the second Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent In2+ and four C+1.33+ atoms. Both Mn–In bond lengths are 2.64 Å. There is two shorter (1.81 Å) and two longermore »« less
Materials Data on Bi2Ru3(CO)9 by Materials Project

Dataset The Materials Project

(Ru)3(Bi)2(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight bismuth molecules, thirty-six formaldehyde molecules, and twelve ruthenium molecules.
Materials Data on Fe3Te2(CO)9 by Materials Project

Dataset The Materials Project

Fe3Te2(CO)9 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Fe3Te2(CO)9 sheet oriented in the (0, 1, 0) direction. there are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 5-coordinate geometry to three C+1.44+ and two Te2- atoms. There is one shorter (1.77 Å) and two longer (1.80 Å) Fe–C bond length. There are one shorter (2.54 Å) and one longer (2.55 Å) Fe–Te bond lengths. In the second Fe3+ site, Fe3+ is bonded in a 5-coordinate geometry to three C+1.44+ and two Te2- atoms. There are amore »« less
Materials Data on BiIr3(CO)9 by Materials Project

Dataset The Materials Project

(Ir)3Bi(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two bismuth molecules, eighteen formaldehyde molecules, and six iridium molecules.

Similar Records

Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)