DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Zn2SiHO5 by Materials Project

Abstract

(Zn4Si2O7(OH)2)2O2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional and consists of two water molecules and one Zn4Si2O7(OH)2 framework. In the Zn4Si2O7(OH)2 framework, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with four equivalent ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.01 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with six equivalent ZnO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Si atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one H atom. In the fourth O site, O is bondedmore » in a bent 150 degrees geometry to two equivalent Si atoms.« less

Publication Date:
Other Number(s):
mp-1106222
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zn2SiHO5; H-O-Si-Zn
OSTI Identifier:
1685853
DOI:
https://doi.org/10.17188/1685853

Citation Formats

The Materials Project. Materials Data on Zn2SiHO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685853.
The Materials Project. Materials Data on Zn2SiHO5 by Materials Project. United States. doi:https://doi.org/10.17188/1685853
The Materials Project. 2019. "Materials Data on Zn2SiHO5 by Materials Project". United States. doi:https://doi.org/10.17188/1685853. https://www.osti.gov/servlets/purl/1685853. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1685853,
title = {Materials Data on Zn2SiHO5 by Materials Project},
author = {The Materials Project},
abstractNote = {(Zn4Si2O7(OH)2)2O2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional and consists of two water molecules and one Zn4Si2O7(OH)2 framework. In the Zn4Si2O7(OH)2 framework, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with four equivalent ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.01 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with six equivalent ZnO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Si atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one H atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.},
doi = {10.17188/1685853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}