Materials Data on NaSr3GdP3O12F by Materials Project

doi:10.17188/1729451

Title: Materials Data on NaSr3GdP3O12F by Materials Project

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Abstract

Sr3GdNa(PO4)3F crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.48 Å) and three longer (2.58 Å) Na–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Sr–O bond distances ranging from 2.48–3.04 Å. The Sr–F bond length is 2.43 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.42–2.58 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Gd3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, one Gd3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, one Gd3+, and one P5+ atom. In the fourth O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1204493

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; NaSr3GdP3O12F; F-Gd-Na-O-P-Sr

OSTI Identifier:: 1729451

DOI:: https://doi.org/10.17188/1729451

Citation Formats


                    The Materials Project. Materials Data on NaSr3GdP3O12F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729451.

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                    The Materials Project. Materials Data on NaSr3GdP3O12F by Materials Project.  United States.  doi:https://doi.org/10.17188/1729451

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                    The Materials Project. 2020.  
"Materials Data on NaSr3GdP3O12F by Materials Project".  United States.  doi:https://doi.org/10.17188/1729451.  https://www.osti.gov/servlets/purl/1729451. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1729451,

  title        = {Materials Data on NaSr3GdP3O12F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3GdNa(PO4)3F crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.48 Å) and three longer (2.58 Å) Na–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Sr–O bond distances ranging from 2.48–3.04 Å. The Sr–F bond length is 2.43 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.42–2.58 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Gd3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, one Gd3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, one Gd3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one P5+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Sr2+ atoms.},

  doi          = {10.17188/1729451},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729451

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