Materials Data on Ce10Ga5Cl4 by Materials Project

doi:10.17188/1204704

Title: Materials Data on Ce10Ga5Cl4 by Materials Project

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Abstract

Ce10Ga5Cl4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to five Ga and one Cl atom. There are one shorter (3.02 Å) and four longer (3.15 Å) Ce–Ga bond lengths. The Ce–Cl bond length is 3.02 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.14–3.24 Å. In the third Ce site, Ce is bonded in a 8-coordinate geometry to three equivalent Ga and five Cl atoms. There are one shorter (3.04 Å) and two longer (3.09 Å) Ce–Ga bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.91–3.25 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Ce atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Ce and one Ga atom. The Ga–Ga bond length is 2.71 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to five Ce atoms tomore »« less

Authors:: The Materials Project

Publication Date:: 2015-03-09

Other Number(s):: mp-30276

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; Ce10Ga5Cl4; Ce-Cl-Ga

OSTI Identifier:: 1204704

DOI:: https://doi.org/10.17188/1204704

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                    The Materials Project. Materials Data on Ce10Ga5Cl4 by Materials Project.  United States: N. p., 2015. 
        Web.  doi:10.17188/1204704.

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                    The Materials Project. Materials Data on Ce10Ga5Cl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204704

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                    The Materials Project. 2015.  
"Materials Data on Ce10Ga5Cl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204704.  https://www.osti.gov/servlets/purl/1204704. Pub date:Mon Mar 09 00:00:00 EDT 2015

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@article{osti_1204704,

  title        = {Materials Data on Ce10Ga5Cl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce10Ga5Cl4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to five Ga and one Cl atom. There are one shorter (3.02 Å) and four longer (3.15 Å) Ce–Ga bond lengths. The Ce–Cl bond length is 3.02 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.14–3.24 Å. In the third Ce site, Ce is bonded in a 8-coordinate geometry to three equivalent Ga and five Cl atoms. There are one shorter (3.04 Å) and two longer (3.09 Å) Ce–Ga bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.91–3.25 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Ce atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Ce and one Ga atom. The Ga–Ga bond length is 2.71 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to five Ce atoms to form ClCe5 square pyramids that share corners with four equivalent ClCe6 pentagonal pyramids, corners with four equivalent ClCe5 square pyramids, and edges with four equivalent ClCe6 pentagonal pyramids. In the second Cl site, Cl is bonded to six equivalent Ce atoms to form distorted ClCe6 pentagonal pyramids that share corners with four equivalent ClCe5 square pyramids, edges with four equivalent ClCe6 pentagonal pyramids, edges with four equivalent ClCe5 square pyramids, and a faceface with one ClCe6 pentagonal pyramid.},

  doi          = {10.17188/1204704},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2015},

  month        = {3}

}

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DOI: https://doi.org/10.17188/1204704

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