Materials Data on MgCd2 by Materials Project

doi:10.17188/1685439

Title: Materials Data on MgCd2 by Materials Project

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Abstract

MgCd2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to seven Cd atoms to form distorted MgCd7 cuboctahedra that share corners with twenty-one CdMg3Cd9 cuboctahedra, edges with four equivalent MgCd7 cuboctahedra, edges with seventeen CdMg3Cd9 cuboctahedra, a faceface with one CdMg3Cd9 cuboctahedra, and faces with three equivalent MgCd7 cuboctahedra. There are a spread of Mg–Cd bond distances ranging from 3.07–3.12 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to three equivalent Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with ten equivalent MgCd7 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with nine equivalent MgCd7 cuboctahedra, edges with eleven CdMg3Cd9 cuboctahedra, a faceface with one MgCd7 cuboctahedra, and faces with thirteen CdMg3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.17–3.23 Å. In the second Cd site, Cd is bonded to four equivalent Mg and eight Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with eleven equivalent MgCd7 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with eight equivalent MgCd7 cuboctahedra, edges with nine CdMg3Cd9 cuboctahedra, and faces with fourteen CdMg3Cd9 cuboctahedra. There are one shorter (3.15 Å) andmore »« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1094812

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; MgCd2; Cd-Mg

OSTI Identifier:: 1685439

DOI:: https://doi.org/10.17188/1685439

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                    The Materials Project. Materials Data on MgCd2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685439.

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                    The Materials Project. Materials Data on MgCd2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685439

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                    The Materials Project. 2020.  
"Materials Data on MgCd2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685439.  https://www.osti.gov/servlets/purl/1685439. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1685439,

  title        = {Materials Data on MgCd2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgCd2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to seven Cd atoms to form distorted MgCd7 cuboctahedra that share corners with twenty-one CdMg3Cd9 cuboctahedra, edges with four equivalent MgCd7 cuboctahedra, edges with seventeen CdMg3Cd9 cuboctahedra, a faceface with one CdMg3Cd9 cuboctahedra, and faces with three equivalent MgCd7 cuboctahedra. There are a spread of Mg–Cd bond distances ranging from 3.07–3.12 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to three equivalent Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with ten equivalent MgCd7 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with nine equivalent MgCd7 cuboctahedra, edges with eleven CdMg3Cd9 cuboctahedra, a faceface with one MgCd7 cuboctahedra, and faces with thirteen CdMg3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.17–3.23 Å. In the second Cd site, Cd is bonded to four equivalent Mg and eight Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with eleven equivalent MgCd7 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with eight equivalent MgCd7 cuboctahedra, edges with nine CdMg3Cd9 cuboctahedra, and faces with fourteen CdMg3Cd9 cuboctahedra. There are one shorter (3.15 Å) and two longer (3.19 Å) Cd–Cd bond lengths.},

  doi          = {10.17188/1685439},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1685439

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Materials Data on MgCd2 by Materials Project

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MgCd2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Cd atoms to form MgMg3Cd9 cuboctahedra that share corners with nine equivalent MgMg3Cd9 cuboctahedra, corners with nine equivalent CdMg6Cd6 cuboctahedra, edges with six equivalent MgMg3Cd9 cuboctahedra, edges with twelve equivalent CdMg4Cd8 cuboctahedra, faces with five equivalent MgMg3Cd9 cuboctahedra, and faces with fifteen CdMg4Cd8 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. There are three shorter (3.14 Å) and six longer (3.16 Å) Mg–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bondedmore »« less
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MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six Cd atoms to form distorted MgMg6Cd6 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve CdMg4Cd8 cuboctahedra, edges with four equivalent MgMg6Cd6 cuboctahedra, edges with fourteen CdMg4Cd8 cuboctahedra, faces with eight equivalent MgMg6Cd6 cuboctahedra, and faces with twelve CdMg4Cd8 cuboctahedra. There are four shorter (3.19 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–Cd bond distances ranging from 3.08–3.11 Å. There are two inequivalent Cd sites. In the first Cdmore »« less
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MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten Cd atoms to form distorted MgMg2Cd10 cuboctahedra that share corners with six equivalent MgMg2Cd10 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with eight equivalent MgMg2Cd10 cuboctahedra, edges with ten CdMg6Cd6 cuboctahedra, faces with six equivalent MgMg2Cd10 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. Both Mg–Mg bond lengths are 3.22 Å. There are a spread of Mg–Cd bond distances ranging from 3.11–3.14 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalentmore »« less

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