Materials Data on CdGeO3 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1284241· OSTI ID:1284241

CdGeO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Cd2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cd–O bond distances ranging from 2.08–2.46 Å. Ge4+ is bonded to five O2- atoms to form distorted edge-sharing GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.72–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OCd2Ge2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OCd2Ge2 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one Ge4+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1284241
• Report Number(s): mp-685935
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cd-Ge-O
CdGeO3
crystal structure