Materials Data on Sr3(AlP2)2 by Materials Project

doi:10.17188/1316558

Title: Materials Data on Sr3(AlP2)2 by Materials Project

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Abstract

Sr3(AlP2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form distorted SrP6 octahedra that share corners with seven SrP6 octahedra, corners with six equivalent AlP4 tetrahedra, edges with six equivalent SrP6 octahedra, edges with three equivalent AlP4 tetrahedra, and a faceface with one SrP6 octahedra. The corner-sharing octahedra tilt angles range from 17–64°. There are a spread of Sr–P bond distances ranging from 3.02–3.52 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form SrP6 octahedra that share corners with ten equivalent SrP6 octahedra, corners with four equivalent AlP4 tetrahedra, edges with two equivalent SrP6 octahedra, edges with four equivalent AlP4 tetrahedra, and faces with two equivalent SrP6 octahedra. The corner-sharing octahedra tilt angles range from 29–64°. There are four shorter (3.04 Å) and two longer (3.18 Å) Sr–P bond lengths. Al3+ is bonded to four P3- atoms to form AlP4 tetrahedra that share corners with eight SrP6 octahedra, corners with two equivalent AlP4 tetrahedra, edges with five SrP6 octahedra, and an edgeedge with one AlP4 tetrahedra. The corner-sharing octahedra tilt angles rangemore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-9843

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; Sr3(AlP2)2; Al-P-Sr

OSTI Identifier:: 1316558

DOI:: https://doi.org/10.17188/1316558

Citation Formats


                    The Materials Project. Materials Data on Sr3(AlP2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316558.

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                    The Materials Project. Materials Data on Sr3(AlP2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316558

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                    The Materials Project. 2020.  
"Materials Data on Sr3(AlP2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316558.  https://www.osti.gov/servlets/purl/1316558. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1316558,

  title        = {Materials Data on Sr3(AlP2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3(AlP2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form distorted SrP6 octahedra that share corners with seven SrP6 octahedra, corners with six equivalent AlP4 tetrahedra, edges with six equivalent SrP6 octahedra, edges with three equivalent AlP4 tetrahedra, and a faceface with one SrP6 octahedra. The corner-sharing octahedra tilt angles range from 17–64°. There are a spread of Sr–P bond distances ranging from 3.02–3.52 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form SrP6 octahedra that share corners with ten equivalent SrP6 octahedra, corners with four equivalent AlP4 tetrahedra, edges with two equivalent SrP6 octahedra, edges with four equivalent AlP4 tetrahedra, and faces with two equivalent SrP6 octahedra. The corner-sharing octahedra tilt angles range from 29–64°. There are four shorter (3.04 Å) and two longer (3.18 Å) Sr–P bond lengths. Al3+ is bonded to four P3- atoms to form AlP4 tetrahedra that share corners with eight SrP6 octahedra, corners with two equivalent AlP4 tetrahedra, edges with five SrP6 octahedra, and an edgeedge with one AlP4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–85°. There are a spread of Al–P bond distances ranging from 2.39–2.45 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to five Sr2+ and two equivalent Al3+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1316558},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316558

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