Materials Data on Zn2Sn2O5 by Materials Project

doi:10.17188/1320738

Title: Materials Data on Zn2Sn2O5 by Materials Project

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Abstract

Zn2Sn2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with two equivalent SnO5 trigonal bipyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.04–2.13 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with six equivalent SnO5 trigonal bipyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.02–2.16 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 2.01–2.65 Å. In the second Sn3+ site, Sn3+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with eight ZnO4 tetrahedra and corners with four equivalent SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 2.04–2.56 Å. There aremore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mvc-3827

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; Zn2Sn2O5; O-Sn-Zn

OSTI Identifier:: 1320738

DOI:: https://doi.org/10.17188/1320738

Citation Formats


                    The Materials Project. Materials Data on Zn2Sn2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320738.

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                    The Materials Project. Materials Data on Zn2Sn2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320738

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                    The Materials Project. 2020.  
"Materials Data on Zn2Sn2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320738.  https://www.osti.gov/servlets/purl/1320738. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1320738,

  title        = {Materials Data on Zn2Sn2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn2Sn2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with two equivalent SnO5 trigonal bipyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.04–2.13 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with six equivalent SnO5 trigonal bipyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.02–2.16 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 2.01–2.65 Å. In the second Sn3+ site, Sn3+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with eight ZnO4 tetrahedra and corners with four equivalent SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 2.04–2.56 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Sn3+ atoms. In the second O2- site, O2- is bonded to two equivalent Zn2+ and two equivalent Sn3+ atoms to form distorted corner-sharing OZn2Sn2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and two equivalent Sn3+ atoms. In the fourth O2- site, O2- is bonded to two Zn2+ and two equivalent Sn3+ atoms to form a mixture of edge and corner-sharing OZn2Sn2 tetrahedra. In the fifth O2- site, O2- is bonded to two Zn2+ and two equivalent Sn3+ atoms to form a mixture of edge and corner-sharing OZn2Sn2 tetrahedra.},

  doi          = {10.17188/1320738},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1320738

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