U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgTe3H12C4N by Materials Project
Abstract
HgTe3N(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight tetramethylammonium molecules and two HgTe3 clusters. In each HgTe3 cluster, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four Te2- atoms to form a mixture of distorted corner and edge-sharing HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.79–3.04 Å. In the second Hg2+ site, Hg2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.80–3.03 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in an L-shaped geometry to two Hg2+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two Hg2+ and one Te2- atom. The Te–Te bond length is 2.80 Å. In the third Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one Te2- atom. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to one Hg2+ and one Te2- atom. The Te–Te bond length is 2.79 Å. In the fifth Te2-more »
- Publication Date:
- Other Number(s):
- mp-698518
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-H-Hg-N-Te; HgTe3H12C4N; crystal structure
- OSTI Identifier:
- 1285365
- DOI:
- https://doi.org/10.17188/1285365
Citation Formats
Materials Data on HgTe3H12C4N by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1285365.
Materials Data on HgTe3H12C4N by Materials Project. United States. doi:https://doi.org/10.17188/1285365
2014.
"Materials Data on HgTe3H12C4N by Materials Project". United States. doi:https://doi.org/10.17188/1285365. https://www.osti.gov/servlets/purl/1285365. Pub date:Fri Sep 26 04:00:00 UTC 2014
@article{osti_1285365,
title = {Materials Data on HgTe3H12C4N by Materials Project},
abstractNote = {HgTe3N(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight tetramethylammonium molecules and two HgTe3 clusters. In each HgTe3 cluster, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four Te2- atoms to form a mixture of distorted corner and edge-sharing HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.79–3.04 Å. In the second Hg2+ site, Hg2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.80–3.03 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in an L-shaped geometry to two Hg2+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two Hg2+ and one Te2- atom. The Te–Te bond length is 2.80 Å. In the third Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one Te2- atom. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to one Hg2+ and one Te2- atom. The Te–Te bond length is 2.79 Å. In the fifth Te2- site, Te2- is bonded in a distorted water-like geometry to two Te2- atoms. The Te–Te bond length is 2.78 Å. In the sixth Te2- site, Te2- is bonded in an L-shaped geometry to one Hg2+ and one Te2- atom.},
doi = {10.17188/1285365},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {9}
}