Materials Data on LiZnBO3 by Materials Project

doi:10.17188/1753469

Title: Materials Data on LiZnBO3 by Materials Project

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Abstract

LiZnBO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with five equivalent ZnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.29 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with five equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–2.08 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.43 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Zn2+, and one B3+ atom to form distorted OLi2ZnB trigonal pyramids that share corners with five equivalent OLiZn2B tetrahedra and corners with two equivalent OLi2ZnB trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Zn2+, and one B3+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one B3+ atom to formmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1222376

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; LiZnBO3; B-Li-O-Zn

OSTI Identifier:: 1753469

DOI:: https://doi.org/10.17188/1753469

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                    The Materials Project. Materials Data on LiZnBO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753469.

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                    The Materials Project. Materials Data on LiZnBO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753469

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                    The Materials Project. 2020.  
"Materials Data on LiZnBO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753469.  https://www.osti.gov/servlets/purl/1753469. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1753469,

  title        = {Materials Data on LiZnBO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiZnBO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with five equivalent ZnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.29 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with five equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–2.08 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.43 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Zn2+, and one B3+ atom to form distorted OLi2ZnB trigonal pyramids that share corners with five equivalent OLiZn2B tetrahedra and corners with two equivalent OLi2ZnB trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Zn2+, and one B3+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one B3+ atom to form distorted OLiZn2B tetrahedra that share corners with two equivalent OLiZn2B tetrahedra and corners with five equivalent OLi2ZnB trigonal pyramids.},

  doi          = {10.17188/1753469},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1753469

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