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Title: Materials Data on Y2Bi2O7 by Materials Project

Abstract

Y2Bi2O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.90 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.21–2.47 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.21–2.81 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.38–2.88 Å. There are four inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Bi–O bond distances ranging from 2.13–2.28 Å. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There aremore » a spread of Bi–O bond distances ranging from 2.22–2.38 Å. In the third Bi4+ site, Bi4+ is bonded to six O2- atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–62°. There are a spread of Bi–O bond distances ranging from 2.10–2.35 Å. In the fourth Bi4+ site, Bi4+ is bonded to six O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–62°. There are a spread of Bi–O bond distances ranging from 2.20–2.49 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Bi4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Bi4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Y3+ and two Bi4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two Bi4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Bi4+ atom. In the sixth O2- site, O2- is bonded to two Y3+ and two equivalent Bi4+ atoms to form distorted corner-sharing OY2Bi2 trigonal pyramids. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Bi4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Bi4+ atom. In the ninth O2- site, O2- is bonded to two Y3+ and two Bi4+ atoms to form distorted corner-sharing OY2Bi2 trigonal pyramids. In the tenth O2- site, O2- is bonded in a distorted see-saw-like geometry to two Y3+ and two Bi4+ atoms. In the eleventh O2- site, O2- is bonded in a distorted see-saw-like geometry to two Y3+ and two Bi4+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Bi4+ atom. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two equivalent Bi4+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Bi4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-772305
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; Y2Bi2O7; Bi-O-Y
OSTI Identifier:
1301168
DOI:
https://doi.org/10.17188/1301168

Citation Formats

The Materials Project. Materials Data on Y2Bi2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301168.
The Materials Project. Materials Data on Y2Bi2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1301168
The Materials Project. 2020. "Materials Data on Y2Bi2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1301168. https://www.osti.gov/servlets/purl/1301168. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1301168,
title = {Materials Data on Y2Bi2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Bi2O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.90 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.21–2.47 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.21–2.81 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.38–2.88 Å. There are four inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Bi–O bond distances ranging from 2.13–2.28 Å. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Bi–O bond distances ranging from 2.22–2.38 Å. In the third Bi4+ site, Bi4+ is bonded to six O2- atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–62°. There are a spread of Bi–O bond distances ranging from 2.10–2.35 Å. In the fourth Bi4+ site, Bi4+ is bonded to six O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–62°. There are a spread of Bi–O bond distances ranging from 2.20–2.49 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Bi4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Bi4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Y3+ and two Bi4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two Bi4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Bi4+ atom. In the sixth O2- site, O2- is bonded to two Y3+ and two equivalent Bi4+ atoms to form distorted corner-sharing OY2Bi2 trigonal pyramids. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Bi4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Bi4+ atom. In the ninth O2- site, O2- is bonded to two Y3+ and two Bi4+ atoms to form distorted corner-sharing OY2Bi2 trigonal pyramids. In the tenth O2- site, O2- is bonded in a distorted see-saw-like geometry to two Y3+ and two Bi4+ atoms. In the eleventh O2- site, O2- is bonded in a distorted see-saw-like geometry to two Y3+ and two Bi4+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Bi4+ atom. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two equivalent Bi4+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Bi4+ atoms.},
doi = {10.17188/1301168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}