Materials Data on Te2(PO4)3 by Materials Project
Te2(PO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. P+4.67+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four TeO6 octahedra. The corner-sharing octahedra tilt angles range from 27–48°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are two inequivalent Te5+ sites. In the first Te5+ site, Te5+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.13 Å) and three longer (2.19 Å) Te–O bond lengths. In the second Te5+ site, Te5+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Te–O bond lengths are 2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one P+4.67+ and one Te5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P+4.67+ and one Te5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one P+4.67+ and one Te5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one P+4.67+ and one Te5+ atom.
- 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:
- 1296893
- Report Number(s):
- mp-766504
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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