Materials Data on Zr2In5Ni by Materials Project

doi:10.17188/1268560

Title: Materials Data on Zr2In5Ni by Materials Project

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Abstract

Zr2NiIn5 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 1-coordinate geometry to one Ni and ten In atoms. The Zr–Ni bond length is 2.70 Å. There are a spread of Zr–In bond distances ranging from 3.11–3.18 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to two equivalent Ni and ten In atoms. Both Zr–Ni bond lengths are 2.85 Å. There are a spread of Zr–In bond distances ranging from 3.09–3.25 Å. Ni is bonded in a 9-coordinate geometry to three Zr and six In atoms. There are two shorter (2.60 Å) and four longer (2.73 Å) Ni–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to four Zr, one Ni, and four In atoms. There are a spread of In–In bond distances ranging from 3.01–3.10 Å. In the second In site, In is bonded in a 11-coordinate geometry to four Zr, two equivalent Ni, and five In atoms. The In–In bond length is 2.75 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-602268

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; Zr2In5Ni; In-Ni-Zr

OSTI Identifier:: 1268560

DOI:: https://doi.org/10.17188/1268560

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                    The Materials Project. Materials Data on Zr2In5Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268560.

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                    The Materials Project. Materials Data on Zr2In5Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1268560

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                    The Materials Project. 2020.  
"Materials Data on Zr2In5Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1268560.  https://www.osti.gov/servlets/purl/1268560. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1268560,

  title        = {Materials Data on Zr2In5Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr2NiIn5 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 1-coordinate geometry to one Ni and ten In atoms. The Zr–Ni bond length is 2.70 Å. There are a spread of Zr–In bond distances ranging from 3.11–3.18 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to two equivalent Ni and ten In atoms. Both Zr–Ni bond lengths are 2.85 Å. There are a spread of Zr–In bond distances ranging from 3.09–3.25 Å. Ni is bonded in a 9-coordinate geometry to three Zr and six In atoms. There are two shorter (2.60 Å) and four longer (2.73 Å) Ni–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to four Zr, one Ni, and four In atoms. There are a spread of In–In bond distances ranging from 3.01–3.10 Å. In the second In site, In is bonded in a 11-coordinate geometry to four Zr, two equivalent Ni, and five In atoms. The In–In bond length is 2.75 Å.},

  doi          = {10.17188/1268560},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268560

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