Materials Data on Mg2Cd by Materials Project

doi:10.17188/1757723

Title: Materials Data on Mg2Cd by Materials Project

Dataset
Other Related Research

Abstract

Mg2Cd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Cd atoms to form distorted MgMg6Cd6 cuboctahedra that share corners with six equivalent CdMg8Cd4 cuboctahedra, corners with twelve MgMg6Cd6 cuboctahedra, edges with seven equivalent CdMg8Cd4 cuboctahedra, edges with eleven MgMg6Cd6 cuboctahedra, faces with six equivalent CdMg8Cd4 cuboctahedra, and faces with fourteen MgMg6Cd6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.21 Å. All Mg–Cd bond lengths are 3.13 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Cd atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent CdMg8Cd4 cuboctahedra, corners with twelve MgMg6Cd6 cuboctahedra, edges with seven MgMg6Cd6 cuboctahedra, edges with eleven equivalent CdMg8Cd4 cuboctahedra, faces with four equivalent CdMg8Cd4 cuboctahedra, and faces with sixteen MgMg6Cd6 cuboctahedra. There are four shorter (3.15 Å) and two longer (3.21 Å) Mg–Mg bond lengths. Both Mg–Cd bond lengths are 3.11 Å. Cd is bonded to eight Mg and four equivalent Cd atoms to form distorted CdMg8Cd4 cuboctahedra that share corners with six equivalent CdMg8Cd4 cuboctahedra, corners with twelve MgMg6Cd6more »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1094936

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; Mg2Cd; Cd-Mg

OSTI Identifier:: 1757723

DOI:: https://doi.org/10.17188/1757723

Citation Formats


                    The Materials Project. Materials Data on Mg2Cd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757723.

Copy to clipboard


                    The Materials Project. Materials Data on Mg2Cd by Materials Project.  United States.  doi:https://doi.org/10.17188/1757723

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mg2Cd by Materials Project".  United States.  doi:https://doi.org/10.17188/1757723.  https://www.osti.gov/servlets/purl/1757723. Pub date:Thu Sep 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1757723,

  title        = {Materials Data on Mg2Cd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Cd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Cd atoms to form distorted MgMg6Cd6 cuboctahedra that share corners with six equivalent CdMg8Cd4 cuboctahedra, corners with twelve MgMg6Cd6 cuboctahedra, edges with seven equivalent CdMg8Cd4 cuboctahedra, edges with eleven MgMg6Cd6 cuboctahedra, faces with six equivalent CdMg8Cd4 cuboctahedra, and faces with fourteen MgMg6Cd6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.21 Å. All Mg–Cd bond lengths are 3.13 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Cd atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent CdMg8Cd4 cuboctahedra, corners with twelve MgMg6Cd6 cuboctahedra, edges with seven MgMg6Cd6 cuboctahedra, edges with eleven equivalent CdMg8Cd4 cuboctahedra, faces with four equivalent CdMg8Cd4 cuboctahedra, and faces with sixteen MgMg6Cd6 cuboctahedra. There are four shorter (3.15 Å) and two longer (3.21 Å) Mg–Mg bond lengths. Both Mg–Cd bond lengths are 3.11 Å. Cd is bonded to eight Mg and four equivalent Cd atoms to form distorted CdMg8Cd4 cuboctahedra that share corners with six equivalent CdMg8Cd4 cuboctahedra, corners with twelve MgMg6Cd6 cuboctahedra, edges with eighteen MgMg6Cd6 cuboctahedra, faces with ten MgMg6Cd6 cuboctahedra, and faces with ten equivalent CdMg8Cd4 cuboctahedra. There are two shorter (3.13 Å) and two longer (3.21 Å) Cd–Cd bond lengths.},

  doi          = {10.17188/1757723},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1757723

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg2Cd by Materials Project

Dataset The Materials Project

Mg2Cd crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three Cd atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with eighteen MgMg9Cd3 cuboctahedra, edges with eight MgMg7Cd5 cuboctahedra, edges with ten CdMg8Cd4 cuboctahedra, faces with seven CdMg8Cd4 cuboctahedra, and faces with thirteen MgMg9Cd3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.23 Å. There are one shorter (3.07 Å) and two longer (3.08 Å) Mg–Cd bond lengths. In the second Mg site, Mg is bondedmore »« less
Materials Data on Mg2Cd by Materials Project

Dataset The Materials Project

Mg2Cd crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Cd atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with six equivalent CdMg7Cd5 cuboctahedra, corners with twelve MgMg8Cd4 cuboctahedra, edges with seven equivalent CdMg7Cd5 cuboctahedra, edges with eleven MgMg9Cd3 cuboctahedra, faces with seven equivalent CdMg7Cd5 cuboctahedra, and faces with thirteen MgMg8Cd4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.20 Å. There are one shorter (3.07 Å) and two longer (3.14 Å) Mg–Cd bondmore »« less
Materials Data on Mg2Cd by Materials Project

Dataset The Materials Project

Mg2Cd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent Cd atoms to form distorted MgMg7Cd5 cuboctahedra that share corners with nine equivalent MgMg7Cd5 cuboctahedra, corners with nine equivalent CdMg10Cd2 cuboctahedra, edges with four equivalent CdMg10Cd2 cuboctahedra, edges with fourteen equivalent MgMg7Cd5 cuboctahedra, faces with seven equivalent CdMg10Cd2 cuboctahedra, and faces with thirteen equivalent MgMg7Cd5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.17 Å. There are four shorter (3.12 Å) and one longer (3.17 Å) Mg–Cd bond lengths. Cd is bonded to ten equivalentmore »« less
Materials Data on Mg2Cd(ClO2)6 by Materials Project

Dataset The Materials Project

Mg2Cd(O2Cl)6 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Mg2Cd(O2Cl)6 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.57 Å. In the second Mg site, Mg is bonded in a trigonal bipyramidal geometry to four O and one Cl atom. There are a spread of Mg–O bond distances ranging from 1.97–2.20 Å. The Mg–Cl bond length is 2.46 Å. Cd ismore »« less
Materials Data on Mg2Cd by Materials Project

Dataset The Materials Project

Mg2Cd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two CdMg6Cd6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.15 Å) and six longer (3.22 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Cd atoms to form distorted MgMg9Cd3 cuboctahedra that sharemore »« less

Similar Records