Materials Data on CuI by Materials Project

doi:10.17188/1275052

Title: Materials Data on CuI by Materials Project

Dataset
Other Related Research

Abstract

CuI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent I1- atoms to form corner-sharing CuI4 tetrahedra. There are three shorter (2.61 Å) and one longer (2.62 Å) Cu–I bond lengths. I1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ICu4 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-569346

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; CuI; Cu-I

OSTI Identifier:: 1275052

DOI:: https://doi.org/10.17188/1275052

Citation Formats


                    The Materials Project. Materials Data on CuI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275052.

Copy to clipboard


                    The Materials Project. Materials Data on CuI by Materials Project.  United States.  doi:https://doi.org/10.17188/1275052

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CuI by Materials Project".  United States.  doi:https://doi.org/10.17188/1275052.  https://www.osti.gov/servlets/purl/1275052. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1275052,

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

  author       = {The Materials Project},

  abstractNote = {CuI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent I1- atoms to form corner-sharing CuI4 tetrahedra. There are three shorter (2.61 Å) and one longer (2.62 Å) Cu–I bond lengths. I1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ICu4 tetrahedra.},

  doi          = {10.17188/1275052},

  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/10.17188/1275052

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CuI by Materials Project

Dataset The Materials Project

CuI is Moissanite 9R-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are one shorter (2.62 Å) and three longer (2.63 Å) Cu–I bond lengths. In the second Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are three shorter (2.62 Å) and one longer (2.63 Å) Cu–I bond lengths. In the third Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharingmore »« less
Materials Data on CuI by Materials Project

Dataset The Materials Project

CuI is Zincblende, Sphalerite structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent I1- atoms to form corner-sharing CuI4 tetrahedra. There are one shorter (2.61 Å) and three longer (2.62 Å) Cu–I bond lengths. I1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ICu4 tetrahedra.
Materials Data on CuI by Materials Project

Dataset The Materials Project

CuI is lead oxide structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuI sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded to four equivalent I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. All Cu–I bond lengths are 2.67 Å. I1- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms.
Materials Data on CuI by Materials Project

Dataset The Materials Project

CuI crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are one shorter (2.52 Å) and three longer (2.70 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six equivalent Cu1+ atoms.
Materials Data on CuI by Materials Project

Dataset The Materials Project

CuI is Zincblende, Sphalerite structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are a spread of Cu–I bond distances ranging from 2.61–2.67 Å. In the second Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are a spread of Cu–I bond distances ranging from 2.59–2.66 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four Cu1+ atoms tomore »« less

Similar Records