Materials Data on Cs4GeO4 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1300444· OSTI ID:1300444

Cs4GeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.59 Å. In the second Cs1+ site, Cs1+ is bonded to four O2- atoms to form distorted CsO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra and edges with two equivalent CsO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 2.95–3.17 Å. In the third Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.04 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.92–3.57 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent CsO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.80–1.83 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ 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: 1300444
• Report Number(s): mp-771321
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cs-Ge-O
Cs4GeO4
crystal structure