Materials Data on Gd2(FeB)7 by Materials Project

doi:10.17188/1283552

Title: Materials Data on Gd2(FeB)7 by Materials Project

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Abstract

Gd2(FeB)7 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted hexagonal bipyramidal geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.68–2.97 Å. In the second Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to ten B3- atoms. There are a spread of Gd–B bond distances ranging from 2.72–3.12 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.73–2.90 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.67–2.86 Å. There are seven inequivalent Fe+2.14+ sites. In the first Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.28 Å. In the second Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.27 Å. In the third Fe+2.14+ site, Fe+2.14+more »« less

Authors:: The Materials Project

Publication Date:: Sat Oct 05 00:00:00 EDT 2013

Other Number(s):: mp-680207

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; Gd2(FeB)7; B-Fe-Gd

OSTI Identifier:: 1283552

DOI:: https://doi.org/10.17188/1283552

Citation Formats


                    The Materials Project. Materials Data on Gd2(FeB)7 by Materials Project.  United States: N. p., 2013. 
        Web.  doi:10.17188/1283552.

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                    The Materials Project. Materials Data on Gd2(FeB)7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283552

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                    The Materials Project. 2013.  
"Materials Data on Gd2(FeB)7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283552.  https://www.osti.gov/servlets/purl/1283552. Pub date:Sat Oct 05 00:00:00 EDT 2013

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@article{osti_1283552,

  title        = {Materials Data on Gd2(FeB)7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd2(FeB)7 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted hexagonal bipyramidal geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.68–2.97 Å. In the second Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to ten B3- atoms. There are a spread of Gd–B bond distances ranging from 2.72–3.12 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.73–2.90 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Gd–B bond distances ranging from 2.67–2.86 Å. There are seven inequivalent Fe+2.14+ sites. In the first Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.28 Å. In the second Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.27 Å. In the third Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.37 Å. In the fourth Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.34 Å. In the fifth Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.34 Å. In the sixth Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.17 Å. In the seventh Fe+2.14+ site, Fe+2.14+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.18 Å. There are seven inequivalent B3- sites. In the first B3- site, B3- is bonded in a 5-coordinate geometry to three Gd3+, five Fe+2.14+, and one B3- atom. The B–B bond length is 1.76 Å. In the second B3- site, B3- is bonded in a 8-coordinate geometry to two Gd3+, five Fe+2.14+, and one B3- atom. The B–B bond length is 1.75 Å. In the third B3- site, B3- is bonded in a 8-coordinate geometry to two equivalent Gd3+, five Fe+2.14+, and one B3- atom. The B–B bond length is 1.75 Å. In the fourth B3- site, B3- is bonded in a 5-coordinate geometry to three Gd3+, five Fe+2.14+, and one B3- atom. In the fifth B3- site, B3- is bonded in a 8-coordinate geometry to two Gd3+, five Fe+2.14+, and one B3- atom. The B–B bond length is 1.76 Å. In the sixth B3- site, B3- is bonded in a 8-coordinate geometry to two Gd3+, five Fe+2.14+, and one B3- atom. In the seventh B3- site, B3- is bonded in a 9-coordinate geometry to three Gd3+, five Fe+2.14+, and one B3- atom.},

  doi          = {10.17188/1283552},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Oct 05 00:00:00 EDT 2013},

  month        = {Sat Oct 05 00:00:00 EDT 2013}

}

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DOI: https://doi.org/10.17188/1283552

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