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

Title: Materials Data on Ce6Ge9(BO15)2 by Materials Project

Abstract

Ce6(BO4)2Ge9O22 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.41–2.55 Å. In the second Ce3+ site, Ce3+ is bonded in a 11-coordinate geometry to ten O2- atoms. There are a spread of Ce–O bond distances ranging from 2.41–2.81 Å. In the third Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.42–2.96 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with five GeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of B–O bond distances ranging from 1.46–1.55 Å. There are five inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share a cornercorner with one GeO6 octahedra, a cornercorner with one BO4 tetrahedra, and edges with three GeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Ge–O bond distances ranging from 1.84–2.00more » Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO6 octahedra, a cornercorner with one BO4 tetrahedra, and edges with two GeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of Ge–O bond distances ranging from 1.80–2.06 Å. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four GeO6 octahedra and a cornercorner with one BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–49°. There are a spread of Ge–O bond distances ranging from 1.87–2.01 Å. In the fourth Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with two GeO6 octahedra, a cornercorner with one BO4 tetrahedra, and edges with two GeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Ge–O bond distances ranging from 1.84–2.10 Å. In the fifth Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four GeO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Ge–O bond distances ranging from 1.88–1.97 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ce3+ and three Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ce3+, one B3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ce3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two equivalent Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ce3+, one B3+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Ce3+, one B3+, and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two Ge4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to one B3+ and two Ge4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-683922
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; Ce6Ge9(BO15)2; B-Ce-Ge-O
OSTI Identifier:
1283797
DOI:
https://doi.org/10.17188/1283797

Citation Formats

The Materials Project. Materials Data on Ce6Ge9(BO15)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283797.
Copy to clipboard
The Materials Project. Materials Data on Ce6Ge9(BO15)2 by Materials Project. United States. doi:https://doi.org/10.17188/1283797
Copy to clipboard
The Materials Project. 2020. "Materials Data on Ce6Ge9(BO15)2 by Materials Project". United States. doi:https://doi.org/10.17188/1283797. https://www.osti.gov/servlets/purl/1283797. Pub date:Wed Apr 29 00:00:00 EDT 2020
Copy to clipboard
@article{osti_1283797,
title = {Materials Data on Ce6Ge9(BO15)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce6(BO4)2Ge9O22 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.41–2.55 Å. In the second Ce3+ site, Ce3+ is bonded in a 11-coordinate geometry to ten O2- atoms. There are a spread of Ce–O bond distances ranging from 2.41–2.81 Å. In the third Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.42–2.96 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with five GeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of B–O bond distances ranging from 1.46–1.55 Å. There are five inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share a cornercorner with one GeO6 octahedra, a cornercorner with one BO4 tetrahedra, and edges with three GeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Ge–O bond distances ranging from 1.84–2.00 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO6 octahedra, a cornercorner with one BO4 tetrahedra, and edges with two GeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of Ge–O bond distances ranging from 1.80–2.06 Å. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four GeO6 octahedra and a cornercorner with one BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–49°. There are a spread of Ge–O bond distances ranging from 1.87–2.01 Å. In the fourth Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with two GeO6 octahedra, a cornercorner with one BO4 tetrahedra, and edges with two GeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Ge–O bond distances ranging from 1.84–2.10 Å. In the fifth Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four GeO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Ge–O bond distances ranging from 1.88–1.97 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ce3+ and three Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ce3+, one B3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ce3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two equivalent Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ce3+, one B3+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Ce3+, one B3+, and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two Ge4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ce3+ and two Ge4+ atoms. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to one B3+ and two Ge4+ atoms.},
doi = {10.17188/1283797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1283797
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: