Materials Data on Ba(BiPd)2 by Materials Project

doi:10.17188/1272939

Title: Materials Data on Ba(BiPd)2 by Materials Project

Dataset
Other Related Research

Abstract

Ba(PdBi)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to eight Pd and eight Bi atoms. There are a spread of Ba–Pd bond distances ranging from 3.40–3.92 Å. There are a spread of Ba–Bi bond distances ranging from 3.70–3.84 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Ba and five Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.82–2.88 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to four equivalent Ba, two equivalent Pd, and four equivalent Bi atoms. Both Pd–Pd bond lengths are 3.15 Å. There are a spread of Pd–Bi bond distances ranging from 2.78–2.88 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to four equivalent Ba and five Pd atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Ba and four equivalent Pd atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-571599

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; Ba(BiPd)2; Ba-Bi-Pd

OSTI Identifier:: 1272939

DOI:: https://doi.org/10.17188/1272939

Citation Formats


                    The Materials Project. Materials Data on Ba(BiPd)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272939.

Copy to clipboard


                    The Materials Project. Materials Data on Ba(BiPd)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272939

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ba(BiPd)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272939.  https://www.osti.gov/servlets/purl/1272939. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1272939,

  title        = {Materials Data on Ba(BiPd)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba(PdBi)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to eight Pd and eight Bi atoms. There are a spread of Ba–Pd bond distances ranging from 3.40–3.92 Å. There are a spread of Ba–Bi bond distances ranging from 3.70–3.84 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Ba and five Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.82–2.88 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to four equivalent Ba, two equivalent Pd, and four equivalent Bi atoms. Both Pd–Pd bond lengths are 3.15 Å. There are a spread of Pd–Bi bond distances ranging from 2.78–2.88 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to four equivalent Ba and five Pd atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Ba and four equivalent Pd atoms.},

  doi          = {10.17188/1272939},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1272939

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sr(BiPd)2 by Materials Project

Dataset The Materials Project

SrPd2Bi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr is bonded in a 1-coordinate geometry to eight Pd and nine Bi atoms. There are a spread of Sr–Pd bond distances ranging from 3.29–3.90 Å. There are a spread of Sr–Bi bond distances ranging from 3.63–3.92 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Sr and five Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.74–2.86 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometrymore »« less
Materials Data on Sr(BiPd)2 by Materials Project

Dataset The Materials Project

SrPd2Bi2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr is bonded in a 4-coordinate geometry to eight Pd and eight Bi atoms. There are four shorter (3.58 Å) and four longer (3.77 Å) Sr–Pd bond lengths. There are four shorter (3.72 Å) and four longer (3.75 Å) Sr–Bi bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Sr and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.79 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometrymore »« less
Materials Data on Eu(BiPd)2 by Materials Project

Dataset The Materials Project

Eu(PdBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to eight Pd and eight Bi atoms. There are four shorter (3.56 Å) and four longer (3.76 Å) Eu–Pd bond lengths. There are four shorter (3.69 Å) and four longer (3.73 Å) Eu–Bi bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.79 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometrymore »« less
Materials Data on BiPd by Materials Project

Dataset The Materials Project

PdBi crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. There are a spread of Pd–Pd bond distances ranging from 2.89–3.08 Å. There are a spread of Pd–Bi bond distances ranging from 2.89–3.34 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. There are one shorter (2.89 Å) and one longer (2.92 Å) Pd–Pd bond lengths. There are a spread of Pd–Bimore »« less
Materials Data on BiPd by Materials Project

Dataset The Materials Project

PdBi crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. There are two shorter (2.90 Å) and one longer (3.08 Å) Pd–Pd bond lengths. There are a spread of Pd–Bi bond distances ranging from 2.91–3.14 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. Both Pd–Pd bond lengths are 2.89 Å. There are a spread of Pd–Bi bond distances ranging from 2.90–3.31more »« less

Similar Records