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Title: Materials Data on Na2Zn2Si2O7 by Materials Project

Abstract

Na2Zn2Si2O7 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.93 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.89 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.09 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with four equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Na1+, one Zn2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing ONa2ZnSi trigonal pyramids. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalentmore » Na1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded to two Na1+, one Zn2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing ONa2ZnSi trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+, two equivalent Zn2+, and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-6507
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; Na2Zn2Si2O7; Na-O-Si-Zn
OSTI Identifier:
1280994
DOI:
10.17188/1280994

Citation Formats

The Materials Project. Materials Data on Na2Zn2Si2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280994.
The Materials Project. Materials Data on Na2Zn2Si2O7 by Materials Project. United States. doi:10.17188/1280994.
The Materials Project. 2020. "Materials Data on Na2Zn2Si2O7 by Materials Project". United States. doi:10.17188/1280994. https://www.osti.gov/servlets/purl/1280994. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1280994,
title = {Materials Data on Na2Zn2Si2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Zn2Si2O7 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.93 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.89 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.09 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with four equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Na1+, one Zn2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing ONa2ZnSi trigonal pyramids. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded to two Na1+, one Zn2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing ONa2ZnSi trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+, two equivalent Zn2+, and one Si4+ atom.},
doi = {10.17188/1280994},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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