Materials Data on Y2BeO4 by Materials Project
Y2BeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.54–1.57 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.73 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.23–2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Be2+ and three Y3+ atoms. In the second O2- site, O2- is bonded to one Be2+ and three Y3+ atoms to form distorted OY3Be tetrahedra that share corners with eight OY4 tetrahedra and edges with two equivalent OY3Be tetrahedra. In the third O2- site, O2- is bonded to one Be2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OY3Be tetrahedra. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with twelve OY3Be tetrahedra and edges with three OY4 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:
- 1277171
- Report Number(s):
- mp-5905
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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