Materials Data on Er2TeO6 by Materials Project
Er2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.59 Å. In the second Er3+ site, Er3+ is bonded to seven O2- atoms to form distorted ErO7 hexagonal pyramids that share corners with three equivalent TeO6 octahedra, edges with two equivalent ErO7 hexagonal pyramids, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of Er–O bond distances ranging from 2.26–2.46 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with three equivalent ErO7 hexagonal pyramids and edges with two equivalent ErO7 hexagonal pyramids. There are a spread of Te–O bond distances ranging from 1.92–1.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Er3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Er3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded to three Er3+ and one Te6+ atom to form distorted corner-sharing OEr3Te 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:
- 1302626
- Report Number(s):
- mp-774557
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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