Materials Data on Sr2CuGe2O7 by Materials Project
Sr2CuGe2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Cu–O bond lengths are 1.95 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent CuO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Ge4+ atom. In the second O2- site, O2- is bonded to three equivalent Sr2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OSr3Ge tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OSr2Ge2 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:
- 1192422
- Report Number(s):
- mp-17265
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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