Materials Data on Sr3(GeP2)2 by Materials Project

doi:10.17188/1193073

Title: Materials Data on Sr3(GeP2)2 by Materials Project

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Abstract

Sr3(GeP2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–12°. There are a spread of Sr–P bond distances ranging from 3.06–3.28 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 3–12°. There are a spread of Sr–P bond distances ranging from 3.06–3.20 Å. In the third Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 3–9°. There are a spread of Sr–P bond distances ranging from 3.07–3.30 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.33–2.43 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shortermore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-18351

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(GeP2)2; Ge-P-Sr

OSTI Identifier:: 1193073

DOI:: https://doi.org/10.17188/1193073

Citation Formats


                    The Materials Project. Materials Data on Sr3(GeP2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193073.

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                    The Materials Project. Materials Data on Sr3(GeP2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193073

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                    The Materials Project. 2020.  
"Materials Data on Sr3(GeP2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193073.  https://www.osti.gov/servlets/purl/1193073. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1193073,

  title        = {Materials Data on Sr3(GeP2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3(GeP2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–12°. There are a spread of Sr–P bond distances ranging from 3.06–3.28 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 3–12°. There are a spread of Sr–P bond distances ranging from 3.06–3.20 Å. In the third Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 3–9°. There are a spread of Sr–P bond distances ranging from 3.07–3.30 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.33–2.43 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.38 Å) and two longer (2.41 Å) Ge–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded to four Sr2+ and two equivalent Ge3+ atoms to form PSr4Ge2 octahedra that share corners with eight PSr5Ge octahedra and edges with eight PSr4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 3–95°. In the second P3- site, P3- is bonded to five Sr2+ and one Ge3+ atom to form a mixture of edge and corner-sharing PSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 3–95°. In the third P3- site, P3- is bonded to five Sr2+ and one Ge3+ atom to form a mixture of edge and corner-sharing PSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 3–87°. In the fourth P3- site, P3- is bonded to four Sr2+ and two Ge3+ atoms to form a mixture of edge and corner-sharing PSr4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 6–95°.},

  doi          = {10.17188/1193073},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1193073

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