Materials Data on Pr2NiGe6 by Materials Project

doi:10.17188/1662580

Title: Materials Data on Pr2NiGe6 by Materials Project

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Abstract

Pr2NiGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.11–3.33 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Pr–Ni bond lengths are 3.20 Å. There are a spread of Pr–Ge bond distances ranging from 3.11–3.34 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.40 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.92 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207027

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; Pr2NiGe6; Ge-Ni-Pr

OSTI Identifier:: 1662580

DOI:: https://doi.org/10.17188/1662580

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                    The Materials Project. Materials Data on Pr2NiGe6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1662580.

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                    The Materials Project. Materials Data on Pr2NiGe6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662580

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                    The Materials Project. 2019.  
"Materials Data on Pr2NiGe6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662580.  https://www.osti.gov/servlets/purl/1662580. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1662580,

  title        = {Materials Data on Pr2NiGe6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2NiGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.11–3.33 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Pr–Ni bond lengths are 3.20 Å. There are a spread of Pr–Ge bond distances ranging from 3.11–3.34 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.40 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.92 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and five Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Pr, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms.},

  doi          = {10.17188/1662580},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1662580

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