Materials Data on InTeClO3 by Materials Project
InTeO3Cl crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one InTeO3Cl sheet oriented in the (0, 0, 1) direction. In3+ is bonded to four O2- and two equivalent Cl1- atoms to form InCl2O4 octahedra that share corners with six equivalent TeO5 square pyramids and edges with two equivalent InCl2O4 octahedra. There are a spread of In–O bond distances ranging from 2.16–2.21 Å. There are one shorter (2.60 Å) and one longer (2.61 Å) In–Cl bond lengths. Te4+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share corners with six equivalent InCl2O4 octahedra and edges with two equivalent TeO5 square pyramids. The corner-sharing octahedra tilt angles range from 42–62°. There are a spread of Te–O bond distances ranging from 1.92–2.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent In3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two equivalent Te4+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent In3+ 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:
- 1270112
- Report Number(s):
- mp-557992
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ZnTe2O5 by Materials Project
Materials Data on CoTe2O5 by Materials Project