Materials Data on BaAgBi by Materials Project

doi:10.17188/1204748

Title: Materials Data on BaAgBi by Materials Project

Full Record
Other Related Research

Abstract

BaAgBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to six equivalent Ag and five equivalent Bi atoms. All Ba–Ag bond lengths are 3.80 Å. There are three shorter (3.37 Å) and two longer (3.52 Å) Ba–Bi bond lengths. Ag is bonded in a 8-coordinate geometry to six equivalent Ba and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.52 Å. Bi is bonded to five equivalent Ba atoms to form a mixture of edge and corner-sharing BiBa5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1204748

Report Number(s):: mp-30332

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; BaAgBi; Ag-Ba-Bi

Citation Formats


                    The Materials Project. Materials Data on BaAgBi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204748.

Copy to clipboard


                    The Materials Project. Materials Data on BaAgBi by Materials Project.  United States.  https://doi.org/10.17188/1204748

Copy to clipboard


                    The Materials Project. 2020.  
        "Materials Data on BaAgBi by Materials Project".  United States.  https://doi.org/10.17188/1204748.  https://www.osti.gov/servlets/purl/1204748.

Copy to clipboard


                    
@article{osti_1204748,

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

  author       = {The Materials Project},

  abstractNote = {BaAgBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to six equivalent Ag and five equivalent Bi atoms. All Ba–Ag bond lengths are 3.80 Å. There are three shorter (3.37 Å) and two longer (3.52 Å) Ba–Bi bond lengths. Ag is bonded in a 8-coordinate geometry to six equivalent Ba and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.52 Å. Bi is bonded to five equivalent Ba atoms to form a mixture of edge and corner-sharing BiBa5 trigonal bipyramids.},

  doi          = {10.17188/1204748},

  url          = {https://www.osti.gov/biblio/1204748},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

https://doi.org/10.17188/1204748

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Materials Data on BaCuRu5O11 by Materials Project

Dataset

BaRu5CuO11 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, edges with six equivalent RuO6 octahedra, edges with three equivalent CuO5 trigonal bipyramids, and faces with six equivalent RuO6 octahedra. There are six shorter (2.92 Å) and six longer (2.98 Å) Ba–O bond lengths. There are two inequivalent Ru+3.80+ sites. In the first Ru+3.80+ site, Ru+3.80+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra, corners with three equivalent CuO5more »« less
https://doi.org/10.17188/1715227

View Dataset
Materials Data on BaLiRu5O11 by Materials Project

Dataset

LiBaRu5O11 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form LiO5 trigonal bipyramids that share corners with twelve RuO6 octahedra and edges with three equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 40–56°. There are three shorter (1.88 Å) and two longer (2.35 Å) Li–O bond lengths. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, edges with six equivalent RuO6 octahedra, edges with three equivalent LiO5 trigonal bipyramids, and faces with six equivalent RuO6 octahedra. Theremore »« less
https://doi.org/10.17188/1748871

View Dataset
Materials Data on K24Zr18Se91 by Materials Project

Dataset

K24Zr18Se91 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent K sites. In the first K site, K is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of K–Se bond distances ranging from 3.21–3.52 Å. In the second K site, K is bonded in a 6-coordinate geometry to seven Se atoms. There are a spread of K–Se bond distances ranging from 3.34–4.00 Å. In the third K site, K is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of K–Se bond distances ranging frommore »« less
https://doi.org/10.17188/1284173

View Dataset
Materials Data on BaBiAu by Materials Project

Dataset

BaAuBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 11-coordinate geometry to six equivalent Au and five equivalent Bi atoms. All Ba–Au bond lengths are 3.75 Å. There are three shorter (3.32 Å) and two longer (3.50 Å) Ba–Bi bond lengths. Au is bonded to six equivalent Ba atoms to form distorted AuBa6 octahedra that share corners with twelve equivalent AuBa6 octahedra, corners with twelve equivalent BiBa5 trigonal bipyramids, edges with six equivalent AuBa6 octahedra, faces with two equivalent AuBa6 octahedra, and faces with six equivalent BiBa5 trigonal bipyramids. The corner-sharing octahedralmore »« less
https://doi.org/10.17188/1205454

View Dataset
Materials Data on K2Ba3Sb4 by Materials Project

Dataset

K2Ba3Sb4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb2- atoms. There are a spread of K–Sb bond distances ranging from 3.56–3.72 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to six Sb2- atoms. There are a spread of K–Sb bond distances ranging from 3.43–4.05 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb2- atoms. There are a spread of K–Sb bond distances ranging frommore »« less
https://doi.org/10.17188/1263361

View Dataset

Similar Records