U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgTe2C2(NF8)2 by Materials Project
Abstract
HgC2Te2(NF8)2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four HgC2Te2(NF8)2 clusters. Hg2+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Hg–N bond lengths are 2.07 Å. C4+ is bonded to one N3- and three F1- atoms to form CNF3 tetrahedra that share a cornercorner with one TeNF5 octahedra. The corner-sharing octahedral tilt angles are 59°. The C–N bond length is 1.41 Å. There is two shorter (1.36 Å) and one longer (1.38 Å) C–F bond length. N3- is bonded in a distorted trigonal planar geometry to one Hg2+, one C4+, and one Te6+ atom. The N–Te bond length is 1.98 Å. Te6+ is bonded to one N3- and five F1- atoms to form TeNF5 octahedra that share a cornercorner with one CNF3 tetrahedra. There is three shorter (1.88 Å) and two longer (1.89 Å) Te–F bond length. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-558806
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; HgTe2C2(NF8)2; C-F-Hg-N-Te
- OSTI Identifier:
- 1270506
- DOI:
- https://doi.org/10.17188/1270506
Citation Formats
The Materials Project. Materials Data on HgTe2C2(NF8)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270506.
The Materials Project. Materials Data on HgTe2C2(NF8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1270506
The Materials Project. 2020.
"Materials Data on HgTe2C2(NF8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1270506. https://www.osti.gov/servlets/purl/1270506. Pub date:Thu May 28 00:00:00 EDT 2020
@article{osti_1270506,
title = {Materials Data on HgTe2C2(NF8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {HgC2Te2(NF8)2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four HgC2Te2(NF8)2 clusters. Hg2+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Hg–N bond lengths are 2.07 Å. C4+ is bonded to one N3- and three F1- atoms to form CNF3 tetrahedra that share a cornercorner with one TeNF5 octahedra. The corner-sharing octahedral tilt angles are 59°. The C–N bond length is 1.41 Å. There is two shorter (1.36 Å) and one longer (1.38 Å) C–F bond length. N3- is bonded in a distorted trigonal planar geometry to one Hg2+, one C4+, and one Te6+ atom. The N–Te bond length is 1.98 Å. Te6+ is bonded to one N3- and five F1- atoms to form TeNF5 octahedra that share a cornercorner with one CNF3 tetrahedra. There is three shorter (1.88 Å) and two longer (1.89 Å) Te–F bond length. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1270506},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu May 28 00:00:00 EDT 2020},
month = {Thu May 28 00:00:00 EDT 2020}
}