Materials Data on Er6TeO12 by Materials Project
Er6TeO12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form distorted ErO6 pentagonal pyramids that share corners with two equivalent TeO6 octahedra, an edgeedge with one TeO6 octahedra, and edges with two equivalent ErO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 29–30°. There are a spread of Er–O bond distances ranging from 2.17–2.39 Å. In the second Er3+ site, Er3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Er–O bond distances ranging from 2.12–2.43 Å. In the third Er3+ site, Er3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Er–O bond distances ranging from 2.14–2.56 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent ErO6 pentagonal pyramids and edges with two equivalent ErO6 pentagonal pyramids. There are a spread of Te–O bond distances ranging from 1.89–1.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Er3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Er3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Er3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Er3+ atoms.
- 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:
- 1673977
- Report Number(s):
- mp-1213679
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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