Materials Data on Mg3Hg by Materials Project

doi:10.17188/1274936

Title: Materials Data on Mg3Hg by Materials Project

Dataset
Other Related Research

Abstract

Mg3Hg crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.83–3.12 Å. In the second Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.95 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to three Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.90–3.09 Å. In the fourth Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 3.06 Å. In the fifth Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.83 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted q6 geometry to ten Mg atoms. In the second Hg site, Hg is bonded in a 8-coordinate geometry to eight Mg atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-569103

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; Mg3Hg; Hg-Mg

OSTI Identifier:: 1274936

DOI:: https://doi.org/10.17188/1274936

Citation Formats


                    The Materials Project. Materials Data on Mg3Hg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274936.

Copy to clipboard


                    The Materials Project. Materials Data on Mg3Hg by Materials Project.  United States.  doi:https://doi.org/10.17188/1274936

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mg3Hg by Materials Project".  United States.  doi:https://doi.org/10.17188/1274936.  https://www.osti.gov/servlets/purl/1274936. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1274936,

  title        = {Materials Data on Mg3Hg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Hg crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.83–3.12 Å. In the second Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.95 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to three Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.90–3.09 Å. In the fourth Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 3.06 Å. In the fifth Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.83 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted q6 geometry to ten Mg atoms. In the second Hg site, Hg is bonded in a 8-coordinate geometry to eight Mg atoms.},

  doi          = {10.17188/1274936},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1274936

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg3Hg by Materials Project

Dataset The Materials Project

Mg3Hg is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Hg atoms. There are one shorter (2.84 Å) and three longer (3.19 Å) Mg–Hg bond lengths. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.83 Å. Hg is bonded in a 5-coordinate geometry to eleven Mg atoms.
Materials Data on Mg3Hg by Materials Project

Dataset The Materials Project

Mg3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Hg atoms to form distorted MgMg8Hg4 cuboctahedra that share corners with twelve equivalent MgMg8Hg4 cuboctahedra, edges with eight equivalent HgMg12 cuboctahedra, edges with sixteen equivalent MgMg8Hg4 cuboctahedra, faces with four equivalent HgMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Hg4 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. All Mg–Hg bond lengths are 3.12 Å. Hg is bonded to twelve equivalent Mg atoms to form HgMg12 cuboctahedra that share corners with twelve equivalent HgMg12more »« less
Materials Data on Mg3Hg by Materials Project

Dataset The Materials Project

Mg3Hg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Hg atoms to form distorted MgMg8Hg4 cuboctahedra that share corners with four equivalent HgMg12 cuboctahedra, corners with fourteen equivalent MgMg8Hg4 cuboctahedra, edges with six equivalent HgMg12 cuboctahedra, edges with twelve equivalent MgMg8Hg4 cuboctahedra, faces with four equivalent HgMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Hg4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.17 Å. There are two shorter (3.10 Å) and two longer (3.14 Å) Mg–Hg bond lengths. Hgmore »« less
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
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records