Materials Data on Er2(NiB2)3 by Materials Project

doi:10.17188/1207819

Title: Materials Data on Er2(NiB2)3 by Materials Project

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Abstract

Er2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Er–B bond distances ranging from 2.72–2.75 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.12 Å) and four longer (2.16 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.22 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Ni2+, and three B2- atoms. There is one shorter (1.73 Å) and two longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Er3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.73 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-4071

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; Er2(NiB2)3; B-Er-Ni

OSTI Identifier:: 1207819

DOI:: https://doi.org/10.17188/1207819

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                    The Materials Project. Materials Data on Er2(NiB2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207819.

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                    The Materials Project. Materials Data on Er2(NiB2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207819

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                    The Materials Project. 2020.  
"Materials Data on Er2(NiB2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207819.  https://www.osti.gov/servlets/purl/1207819. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207819,

  title        = {Materials Data on Er2(NiB2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Er–B bond distances ranging from 2.72–2.75 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.12 Å) and four longer (2.16 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.22 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Ni2+, and three B2- atoms. There is one shorter (1.73 Å) and two longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Er3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.73 Å.},

  doi          = {10.17188/1207819},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207819

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