Materials Data on Ag2HgI4 by Materials Project

doi:10.17188/1199539

Title: Materials Data on Ag2HgI4 by Materials Project

Dataset
Other Related Research

Abstract

Ag2HgI4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.87 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.88 Å. Hg2+ is bonded to four equivalent I1- atoms to form HgI4 tetrahedra that share corners with eight AgI4 tetrahedra. All Hg–I bond lengths are 2.88 Å. I1- is bonded in a trigonal non-coplanar geometry to two Ag1+ and one Hg2+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-23485

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; Ag2HgI4; Ag-Hg-I

OSTI Identifier:: 1199539

DOI:: https://doi.org/10.17188/1199539

Citation Formats


                    The Materials Project. Materials Data on Ag2HgI4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199539.

Copy to clipboard


                    The Materials Project. Materials Data on Ag2HgI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199539

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ag2HgI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199539.  https://www.osti.gov/servlets/purl/1199539. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1199539,

  title        = {Materials Data on Ag2HgI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2HgI4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.87 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.88 Å. Hg2+ is bonded to four equivalent I1- atoms to form HgI4 tetrahedra that share corners with eight AgI4 tetrahedra. All Hg–I bond lengths are 2.88 Å. I1- is bonded in a trigonal non-coplanar geometry to two Ag1+ and one Hg2+ atom.},

  doi          = {10.17188/1199539},

  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/10.17188/1199539

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ag2HgI4 by Materials Project

Dataset The Materials Project

Ag2HgI4 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three AgHgI3 sheets oriented in the (0, 0, 1) direction and three AgI sheets oriented in the (0, 0, 1) direction. In each AgHgI3 sheet, Ag1+ is bonded to four I1- atoms to form AgI4 tetrahedra that share corners with three equivalent HgI4 tetrahedra and corners with six equivalent AgI4 tetrahedra. There are three shorter (2.80 Å) and one longer (3.10 Å) Ag–I bond lengths. Hg2+ is bonded to four I1- atoms to form HgI4 tetrahedra that share corners with three equivalent AgI4 tetrahedra andmore »« less
Materials Data on Ag2HgI4 by Materials Project

Dataset The Materials Project

Ag2HgI4 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two I ribbons oriented in the (0, 1, 0) direction; one Ag3Hg2I5 sheet oriented in the (0, 0, 1) direction; and one Ag3HgI5 sheet oriented in the (0, 0, 1) direction. In each I ribbon, I1- is bonded in a 2-coordinate geometry to two equivalent I1- atoms. Both I–I bond lengths are 2.81 Å. In the Ag3Hg2I5 sheet, there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four I1- atoms to form AgI4 tetrahedra that share corners with threemore »« less
Materials Data on Ag2HgI4 by Materials Project

Dataset The Materials Project

Ag2HgI4 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.87 Å. Hg2+ is bonded to four equivalent I1- atoms to form HgI4 tetrahedra that share corners with eight equivalent AgI4 tetrahedra. All Hg–I bond lengths are 2.88 Å. I1- is bonded in a trigonal non-coplanar geometry to two equivalent Ag1+ and one Hg2+ atom.
Materials Data on Ag2HgI4 by Materials Project

Dataset The Materials Project

Ag2HgI4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.86 Å. Hg2+ is bonded to four equivalent I1- atoms to form HgI4 tetrahedra that share corners with eight equivalent AgI4 tetrahedra. All Hg–I bond lengths are 2.87 Å. I1- is bonded in a trigonal non-coplanar geometry to two equivalent Ag1+ and one Hg2+ atom.
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less

Similar Records