U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaGe2O5 by Materials Project
Abstract
CaGe2O5 crystallizes in the orthorhombic Pbam 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 2.34–2.57 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent GeO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Ge–O bond distances ranging from 1.85–1.90 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent GeO6 octahedra. There is four shorter (1.91 Å) and two longer (1.97 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OCa2Ge2 trigonal pyramids. In the third O2- site, O2-more »
- Publication Date:
- Other Number(s):
- mp-4279
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ca-Ge-O; CaGe2O5; crystal structure
- OSTI Identifier:
- 1208027
- DOI:
- https://doi.org/10.17188/1208027
Citation Formats
Materials Data on CaGe2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208027.
Materials Data on CaGe2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1208027
2020.
"Materials Data on CaGe2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1208027. https://www.osti.gov/servlets/purl/1208027. Pub date:Sun Jul 19 20:00:00 EDT 2020
@article{osti_1208027,
title = {Materials Data on CaGe2O5 by Materials Project},
abstractNote = {CaGe2O5 crystallizes in the orthorhombic Pbam 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 2.34–2.57 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent GeO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Ge–O bond distances ranging from 1.85–1.90 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent GeO6 octahedra. There is four shorter (1.91 Å) and two longer (1.97 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OCa2Ge2 trigonal pyramids. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two Ge4+ atoms.},
doi = {10.17188/1208027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}