Materials Data on Ce4Ge9Rh13 by Materials Project

doi:10.17188/1204237

Title: Materials Data on Ce4Ge9Rh13 by Materials Project

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Abstract

Ce4Rh13Ge9 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to ten Rh and six Ge atoms. There are a spread of Ce–Rh bond distances ranging from 3.18–3.56 Å. There are a spread of Ce–Ge bond distances ranging from 3.14–3.20 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to ten Rh and six Ge atoms. There are a spread of Ce–Rh bond distances ranging from 3.11–3.53 Å. There are two shorter (3.14 Å) and four longer (3.15 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded in a 12-coordinate geometry to twelve Rh and six Ge atoms. There are a spread of Ce–Rh bond distances ranging from 3.18–3.56 Å. There are two shorter (3.13 Å) and four longer (3.15 Å) Ce–Ge bond lengths. There are eight inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to two Ce and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.47–2.60 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometrymore »« less

Authors:: The Materials Project

Publication Date:: Wed Feb 26 00:00:00 EST 2014

Other Number(s):: mp-29776

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; Ce4Ge9Rh13; Ce-Ge-Rh

OSTI Identifier:: 1204237

DOI:: https://doi.org/10.17188/1204237

Citation Formats


                    The Materials Project. Materials Data on Ce4Ge9Rh13 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1204237.

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                    The Materials Project. Materials Data on Ce4Ge9Rh13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204237

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                    The Materials Project. 2014.  
"Materials Data on Ce4Ge9Rh13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204237.  https://www.osti.gov/servlets/purl/1204237. Pub date:Wed Feb 26 00:00:00 EST 2014

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@article{osti_1204237,

  title        = {Materials Data on Ce4Ge9Rh13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce4Rh13Ge9 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to ten Rh and six Ge atoms. There are a spread of Ce–Rh bond distances ranging from 3.18–3.56 Å. There are a spread of Ce–Ge bond distances ranging from 3.14–3.20 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to ten Rh and six Ge atoms. There are a spread of Ce–Rh bond distances ranging from 3.11–3.53 Å. There are two shorter (3.14 Å) and four longer (3.15 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded in a 12-coordinate geometry to twelve Rh and six Ge atoms. There are a spread of Ce–Rh bond distances ranging from 3.18–3.56 Å. There are two shorter (3.13 Å) and four longer (3.15 Å) Ce–Ge bond lengths. There are eight inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to two Ce and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.47–2.60 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to three equivalent Ce and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.47–2.60 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to three Ce and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.47–2.57 Å. In the fourth Rh site, Rh is bonded to four Ce and four Ge atoms to form a mixture of distorted edge and corner-sharing RhCe4Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.51 Å) Rh–Ge bond lengths. In the fifth Rh site, Rh is bonded in a 3-coordinate geometry to six Ce and three Ge atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Rh–Ge bond lengths. In the sixth Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Ce and five Ge atoms. There are one shorter (2.47 Å) and four longer (2.60 Å) Rh–Ge bond lengths. In the seventh Rh site, Rh is bonded to four Ce and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing RhCe4Ge4 tetrahedra. There are a spread of Rh–Ge bond distances ranging from 2.46–2.52 Å. In the eighth Rh site, Rh is bonded in a 4-coordinate geometry to three Ce and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.48–2.54 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ce and seven Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Ce and five Rh atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ce and seven Rh atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to two equivalent Ce and six Rh atoms. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to two equivalent Ce and six Rh atoms. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce and five Rh atoms.},

  doi          = {10.17188/1204237},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Feb 26 00:00:00 EST 2014},

  month        = {Wed Feb 26 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1204237

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