U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn(BO3)3 by Materials Project
Abstract
Zn(BO3)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Zn(BO3)3 ribbons oriented in the (0, 1, 0) direction. Zn is bonded to four O atoms to form distorted ZnO4 trigonal pyramids that share corners with four equivalent BO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.06 Å. There are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and corners with two equivalent ZnO4 trigonal pyramids. There are a spread of B–O bond distances ranging from 1.40–1.54 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.33 Å) and one longer (1.55 Å) B–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a distorted single-bond geometry to one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Zn and one Bmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1196680
- 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; Zn(BO3)3; B-O-Zn
- OSTI Identifier:
- 1692417
- DOI:
- https://doi.org/10.17188/1692417
Citation Formats
The Materials Project. Materials Data on Zn(BO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1692417.
The Materials Project. Materials Data on Zn(BO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1692417
The Materials Project. 2020.
"Materials Data on Zn(BO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1692417. https://www.osti.gov/servlets/purl/1692417. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1692417,
title = {Materials Data on Zn(BO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(BO3)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Zn(BO3)3 ribbons oriented in the (0, 1, 0) direction. Zn is bonded to four O atoms to form distorted ZnO4 trigonal pyramids that share corners with four equivalent BO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.06 Å. There are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and corners with two equivalent ZnO4 trigonal pyramids. There are a spread of B–O bond distances ranging from 1.40–1.54 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.33 Å) and one longer (1.55 Å) B–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a distorted single-bond geometry to one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Zn and one B atom. In the fourth O site, O is bonded in a single-bond geometry to one Zn atom. In the fifth O site, O is bonded in a trigonal planar geometry to one Zn and two equivalent B atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one B atom.},
doi = {10.17188/1692417},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}