Materials Data on Nd3Ga5SiO14 by Materials Project

doi:10.17188/1711907

Title: Materials Data on Nd3Ga5SiO14 by Materials Project

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Abstract

Nd3Ga5SiO14 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.97 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.84–1.97 Å. In the second Ga3+ site, Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.02 Å) and three longer (2.03 Å) Ga–O bond lengths. In the third Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.82 Å) and three longer (1.86 Å) Ga–O bond length. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.63 Å) and three longer (1.66 Å) Si–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Nd3+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and onemore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1220307

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; Nd3Ga5SiO14; Ga-Nd-O-Si

OSTI Identifier:: 1711907

DOI:: https://doi.org/10.17188/1711907

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                    The Materials Project. Materials Data on Nd3Ga5SiO14 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1711907.

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                    The Materials Project. Materials Data on Nd3Ga5SiO14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711907

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                    The Materials Project. 2019.  
"Materials Data on Nd3Ga5SiO14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711907.  https://www.osti.gov/servlets/purl/1711907. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1711907,

  title        = {Materials Data on Nd3Ga5SiO14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd3Ga5SiO14 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.97 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.84–1.97 Å. In the second Ga3+ site, Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.02 Å) and three longer (2.03 Å) Ga–O bond lengths. In the third Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.82 Å) and three longer (1.86 Å) Ga–O bond length. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.63 Å) and three longer (1.66 Å) Si–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Nd3+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Ga3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+, one Ga3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and two Ga3+ atoms.},

  doi          = {10.17188/1711907},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1711907

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