Materials Data on Ce2Ge6Pd by Materials Project

doi:10.17188/1722295

Title: Materials Data on Ce2Ge6Pd by Materials Project

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Abstract

Ce2PdGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.06–3.25 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pd and ten Ge atoms. All Ce–Pd bond lengths are 3.18 Å. There are a spread of Ce–Ge bond distances ranging from 3.16–3.40 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Ce and five Ge atoms. There are one shorter (2.44 Å) and four longer (2.50 Å) Pd–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ce, two equivalent Pd, and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.93 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ce and five Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the third Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ce,more »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1207253

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; Ce2Ge6Pd; Ce-Ge-Pd

OSTI Identifier:: 1722295

DOI:: https://doi.org/10.17188/1722295

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                    The Materials Project. Materials Data on Ce2Ge6Pd by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1722295.

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                    The Materials Project. Materials Data on Ce2Ge6Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1722295

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                    The Materials Project. 2019.  
"Materials Data on Ce2Ge6Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1722295.  https://www.osti.gov/servlets/purl/1722295. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1722295,

  title        = {Materials Data on Ce2Ge6Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2PdGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.06–3.25 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pd and ten Ge atoms. All Ce–Pd bond lengths are 3.18 Å. There are a spread of Ce–Ge bond distances ranging from 3.16–3.40 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Ce and five Ge atoms. There are one shorter (2.44 Å) and four longer (2.50 Å) Pd–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ce, two equivalent Pd, and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.93 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ce and five Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the third Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ce, two equivalent Pd, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ce and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Ce, one Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Ce and two equivalent Ge atoms.},

  doi          = {10.17188/1722295},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1722295

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