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

Title: Materials Data on CaGeO3 by Materials Project

Abstract

CaGeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.64 Å. Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There is four shorter (1.93 Å) and two longer (1.94 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Ge4+ atoms.

Publication Date:
Other Number(s):
mp-8130
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; CaGeO3; Ca-Ge-O
OSTI Identifier:
1282220
DOI:
10.17188/1282220

Citation Formats

The Materials Project. Materials Data on CaGeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282220.
The Materials Project. Materials Data on CaGeO3 by Materials Project. United States. doi:10.17188/1282220.
The Materials Project. 2020. "Materials Data on CaGeO3 by Materials Project". United States. doi:10.17188/1282220. https://www.osti.gov/servlets/purl/1282220. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1282220,
title = {Materials Data on CaGeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaGeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.64 Å. Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There is four shorter (1.93 Å) and two longer (1.94 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1282220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: