Materials Data on P10Au7I by Materials Project

doi:10.17188/1275596

Title: Materials Data on P10Au7I by Materials Project

Full Record
Other Related Research

Abstract

(AuP2)2Au5P6I crystallizes in the trigonal P-31m space group. The structure is three-dimensional and consists of two AuP2 clusters and one Au5P6I framework. In each AuP2 cluster, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.35 Å. P+0.20+ is bonded in a single-bond geometry to one Au+0.14- atom. In the Au5P6I framework, there are two inequivalent Au+0.14- sites. In the first Au+0.14- site, Au+0.14- is bonded to three equivalent P+0.20+ and one I1- atom to form distorted corner-sharing AuP3I trigonal pyramids. All Au–P bond lengths are 2.38 Å. The Au–I bond length is 3.10 Å. In the second Au+0.14- site, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.37 Å. P+0.20+ is bonded in a bent 120 degrees geometry to two Au+0.14- atoms. I1- is bonded in a linear geometry to two equivalent Au+0.14- atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 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:: 1275596

Report Number(s):: mp-570238

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; P10Au7I; Au-I-P

Citation Formats


                    The Materials Project. Materials Data on P10Au7I by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275596.

Copy to clipboard


                    The Materials Project. Materials Data on P10Au7I by Materials Project.  United States.  https://doi.org/10.17188/1275596

Copy to clipboard


                    The Materials Project. 2020.  
        "Materials Data on P10Au7I by Materials Project".  United States.  https://doi.org/10.17188/1275596.  https://www.osti.gov/servlets/purl/1275596.

Copy to clipboard


                    
@article{osti_1275596,

  title        = {Materials Data on P10Au7I by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(AuP2)2Au5P6I crystallizes in the trigonal P-31m space group. The structure is three-dimensional and consists of two AuP2 clusters and one Au5P6I framework. In each AuP2 cluster, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.35 Å. P+0.20+ is bonded in a single-bond geometry to one Au+0.14- atom. In the Au5P6I framework, there are two inequivalent Au+0.14- sites. In the first Au+0.14- site, Au+0.14- is bonded to three equivalent P+0.20+ and one I1- atom to form distorted corner-sharing AuP3I trigonal pyramids. All Au–P bond lengths are 2.38 Å. The Au–I bond length is 3.10 Å. In the second Au+0.14- site, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.37 Å. P+0.20+ is bonded in a bent 120 degrees geometry to two Au+0.14- atoms. I1- is bonded in a linear geometry to two equivalent Au+0.14- atoms.},

  doi          = {10.17188/1275596},

  url          = {https://www.osti.gov/biblio/1275596},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

https://doi.org/10.17188/1275596

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Materials Data on P10Au7I by Materials Project

Dataset

(AuP2)2Au5P6I crystallizes in the hexagonal P-62m space group. The structure is one-dimensional and consists of two AuP2 clusters and one Au5P6I ribbon oriented in the (0, 0, 1) direction. In each AuP2 cluster, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.35 Å. P+0.20+ is bonded in a single-bond geometry to one Au+0.14- atom. In the Au5P6I ribbon, there are two inequivalent Au+0.14- sites. In the first Au+0.14- site, Au+0.14- is bonded to three equivalent P+0.20+ and one I1- atom to form distorted corner-sharing AuP3I trigonal pyramids. All Au–P bond lengthsmore »« less
https://doi.org/10.17188/1201587

View Dataset
Materials Data on Y21B7(C7I9)2 by Materials Project

Dataset

Y21B7(C7I9)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Y21B7(C7I9)2 sheet oriented in the (1, 0, 0) direction. there are twenty-one inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to three C+3.86- and two I1- atoms. There are two shorter (2.44 Å) and one longer (2.47 Å) Y–C bond lengths. There are one shorter (3.10 Å) and one longer (3.30 Å) Y–I bond lengths. In the second Y3+ site, Y3+ is bonded to four C+3.86- and three I1- atoms to form distorted YC4I3 pentagonal bipyramids thatmore »« less
https://doi.org/10.17188/1283543

View Dataset
Materials Data on Cu15Bi4(Se4I)4 by Materials Project

Dataset

Cu15Bi4(Se4I)4 is Chalcostibite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are fifteen inequivalent Cu+1.60+ sites. In the first Cu+1.60+ site, Cu+1.60+ is bonded in a distorted trigonal non-coplanar geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.41–2.89 Å. In the second Cu+1.60+ site, Cu+1.60+ is bonded in a distorted trigonal non-coplanar geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.37–3.01 Å. In the third Cu+1.60+ site, Cu+1.60+ is bonded in a distorted trigonal non-coplanar geometry to four Se2- atoms.more »« less
https://doi.org/10.17188/1653058

View Dataset
Materials Data on Li6PS5I by Materials Project

Dataset

Li6PS5I is Hausmannite-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are six inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to three S2- and one I1- atom to form distorted LiS3I trigonal pyramids that share corners with two equivalent PS4 tetrahedra, corners with seven LiS3I tetrahedra, and an edgeedge with one LiS3I tetrahedra. There are a spread of Li–S bond distances ranging from 2.37–2.47 Å. The Li–I bond length is 3.29 Å. In the second Li1+ site, Li1+ is bonded to three S2- and one I1- atom to form LiS3Imore »« less
https://doi.org/10.17188/1313292

View Dataset
Materials Data on Ag13As3(IO3)4 by Materials Project

Dataset

Ag13As3(O3I)4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to three O2- and one I1- atom. There are two shorter (2.44 Å) and one longer (2.48 Å) Ag–O bond lengths. The Ag–I bond length is 2.79 Å. In the second Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with four AsO4 tetrahedra. There are three shorter (2.44 Å) and one longer (2.68 Å) Ag–O bond lengths. In the thirdmore »« less
https://doi.org/10.17188/1672916

View Dataset

Similar Records