Materials Data on Sr4Ta2O9 by Materials Project

doi:10.17188/1298690

Title: Materials Data on Sr4Ta2O9 by Materials Project

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Abstract

Sr4Ta2O9 is Ilmenite-like structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 octahedra that share corners with six equivalent TaO6 octahedra, corners with three equivalent SrO6 pentagonal pyramids, edges with three equivalent SrO6 octahedra, and a faceface with one SrO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 39–57°. There are three shorter (2.50 Å) and three longer (2.70 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with three equivalent SrO6 octahedra, corners with three equivalent TaO6 octahedra, corners with three equivalent SrO6 pentagonal pyramids, edges with three equivalent TaO6 octahedra, and a faceface with one SrO6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are three shorter (2.41 Å) and three longer (2.55 Å) Sr–O bond lengths. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with six equivalent SrO6 octahedra, corners with three equivalent SrO6 pentagonal pyramids, edges with three equivalent SrO6 pentagonal pyramids, andmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-769268

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; Sr4Ta2O9; O-Sr-Ta

OSTI Identifier:: 1298690

DOI:: https://doi.org/10.17188/1298690

Citation Formats


                    The Materials Project. Materials Data on Sr4Ta2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298690.

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                    The Materials Project. Materials Data on Sr4Ta2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298690

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                    The Materials Project. 2020.  
"Materials Data on Sr4Ta2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298690.  https://www.osti.gov/servlets/purl/1298690. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1298690,

  title        = {Materials Data on Sr4Ta2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr4Ta2O9 is Ilmenite-like structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 octahedra that share corners with six equivalent TaO6 octahedra, corners with three equivalent SrO6 pentagonal pyramids, edges with three equivalent SrO6 octahedra, and a faceface with one SrO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 39–57°. There are three shorter (2.50 Å) and three longer (2.70 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with three equivalent SrO6 octahedra, corners with three equivalent TaO6 octahedra, corners with three equivalent SrO6 pentagonal pyramids, edges with three equivalent TaO6 octahedra, and a faceface with one SrO6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are three shorter (2.41 Å) and three longer (2.55 Å) Sr–O bond lengths. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with six equivalent SrO6 octahedra, corners with three equivalent SrO6 pentagonal pyramids, edges with three equivalent SrO6 pentagonal pyramids, and a faceface with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–57°. There are three shorter (1.94 Å) and three longer (2.14 Å) Ta–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ta5+ atoms to form a mixture of distorted corner and edge-sharing OSr2Ta2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ta5+ atom.},

  doi          = {10.17188/1298690},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298690

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