Materials Data on Si3O7 by Materials Project
Abstract
Si3O7 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Si3O7 ribbon oriented in the (0, 1, 0) direction. there are six inequivalent Si sites. In the first Si site, Si is bonded in a water-like geometry to two O atoms. There is one shorter (1.62 Å) and one longer (1.65 Å) Si–O bond length. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.68 Å. In the third Si site, Si is bonded in a trigonal planar geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.54–1.65 Å. In the fourth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the fifth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the sixth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.63 Å)more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-638900
- 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; Si3O7; O-Si
- OSTI Identifier:
- 1279810
- DOI:
- https://doi.org/10.17188/1279810
Citation Formats
The Materials Project. Materials Data on Si3O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279810.
The Materials Project. Materials Data on Si3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1279810
The Materials Project. 2020.
"Materials Data on Si3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1279810. https://www.osti.gov/servlets/purl/1279810. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1279810,
title = {Materials Data on Si3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Si3O7 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Si3O7 ribbon oriented in the (0, 1, 0) direction. there are six inequivalent Si sites. In the first Si site, Si is bonded in a water-like geometry to two O atoms. There is one shorter (1.62 Å) and one longer (1.65 Å) Si–O bond length. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.68 Å. In the third Si site, Si is bonded in a trigonal planar geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.54–1.65 Å. In the fourth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the fifth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the sixth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.63 Å) and three longer (1.64 Å) Si–O bond length. There are fourteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a distorted bent 150 degrees geometry to two Si atoms. In the fourth O site, O is bonded in a single-bond geometry to one Si atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a single-bond geometry to one Si atom. In the seventh O site, O is bonded in a single-bond geometry to one Si atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the tenth O site, O is bonded in a single-bond geometry to one Si atom. In the eleventh O site, O is bonded in a single-bond geometry to one Si atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourteenth O site, O is bonded in a single-bond geometry to one Si atom.},
doi = {10.17188/1279810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}