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Title: Materials Data on Li2CdGeO4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1298517· OSTI ID:1298517

Li2CdGeO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent CdO4 tetrahedra, and corners with four equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.06 Å. Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There are two shorter (2.21 Å) and two longer (2.26 Å) Cd–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent CdO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There is three shorter (1.78 Å) and one longer (1.80 Å) Ge–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Ge4+ atom to form distorted corner-sharing OLi2CdGe tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Ge4+ atom to form corner-sharing OLi2CdGe tetrahedra. In the third O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Ge4+ atom to form corner-sharing OLi2CdGe tetrahedra.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1298517
Report Number(s):
mp-7688
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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