Materials Data on Mg3In by Materials Project

doi:10.17188/1285130

Title: Materials Data on Mg3In by Materials Project

Dataset
Other Related Research

Abstract

Mg3In is Uranium Silicide-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.21 Å. There are a spread of Mg–In bond distances ranging from 3.15–3.21 Å. In the second Mg site, Mg is bonded to eight Mg and four In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are four shorter (3.15 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.15–3.22 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve Mg atoms tomore »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-697180

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; Mg3In; In-Mg

OSTI Identifier:: 1285130

DOI:: https://doi.org/10.17188/1285130

Citation Formats


                    The Materials Project. Materials Data on Mg3In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285130.

Copy to clipboard


                    The Materials Project. Materials Data on Mg3In by Materials Project.  United States.  doi:https://doi.org/10.17188/1285130

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mg3In by Materials Project".  United States.  doi:https://doi.org/10.17188/1285130.  https://www.osti.gov/servlets/purl/1285130. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1285130,

  title        = {Materials Data on Mg3In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3In is Uranium Silicide-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.21 Å. There are a spread of Mg–In bond distances ranging from 3.15–3.21 Å. In the second Mg site, Mg is bonded to eight Mg and four In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are four shorter (3.15 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.15–3.22 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent MgMg8In4 cuboctahedra, corners with nine InMg12 cuboctahedra, edges with twenty-one MgMg8In4 cuboctahedra, faces with seven InMg12 cuboctahedra, and faces with twelve MgMg8In4 cuboctahedra. In the second In site, In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent MgMg8In4 cuboctahedra, corners with nine InMg12 cuboctahedra, edges with twenty-one MgMg8In4 cuboctahedra, faces with seven InMg12 cuboctahedra, and faces with twelve MgMg8In4 cuboctahedra.},

  doi          = {10.17188/1285130},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1285130

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg3In by Materials Project

Dataset The Materials Project

Mg3In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two In atoms. Both Mg–Mg bond lengths are 3.10 Å. There are one shorter (2.99 Å) and one longer (3.08 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg and three In atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distancesmore »« less
Materials Data on Mg3In by Materials Project

Dataset The Materials Project

Mg3In 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 In atoms to form distorted MgMg8In4 cuboctahedra that share corners with twelve equivalent MgMg8In4 cuboctahedra, edges with eight equivalent InMg12 cuboctahedra, edges with sixteen equivalent MgMg8In4 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with fourteen equivalent MgMg8In4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–In bond lengths are 3.18 Å. In is bonded to twelve equivalent Mg atoms to form InMg12 cuboctahedra that share corners with twelve equivalent InMg12more »« less
Materials Data on Mg3In by Materials Project

Dataset The Materials Project

Mg3In is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent In atoms to form MgMg8In4 cuboctahedra that share corners with four equivalent MgMg8In4 cuboctahedra, corners with eight equivalent InMg12 cuboctahedra, edges with twenty-four MgMg8In4 cuboctahedra, faces with six equivalent InMg12 cuboctahedra, and faces with twelve MgMg8In4 cuboctahedra. All Mg–Mg bond lengths are 3.19 Å. All Mg–In bond lengths are 3.22 Å. In the second Mg site, Mg is bonded to eight Mgmore »« less
Materials Data on Mg3In by Materials Project

Dataset The Materials Project

Mg3In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent In atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent InMg6 cuboctahedra, corners with twelve equivalent MgMg9In3 cuboctahedra, edges with six equivalent InMg6 cuboctahedra, edges with eighteen MgMg9In3 cuboctahedra, and faces with twelve MgMg9In3 cuboctahedra. There are three shorter (3.13 Å) and six longer (3.32 Å) Mg–Mg bond lengths. All Mg–In bond lengths are 3.15 Å. In the second Mg site, Mg is bonded tomore »« less
Materials Data on Mg3In by Materials Project

Dataset The Materials Project

Mg3In 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 In atoms to form distorted MgMg8In4 cuboctahedra that share corners with four equivalent InMg12 cuboctahedra, corners with fourteen equivalent MgMg8In4 cuboctahedra, edges with six equivalent InMg12 cuboctahedra, edges with twelve equivalent MgMg8In4 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen equivalent MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.20 Å. There are two shorter (3.17 Å) and two longer (3.21 Å) Mg–In bond lengths. Inmore »« less

Similar Records