U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsHo3Te5 by Materials Project
Abstract
CsHo3Te5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.92–4.08 Å. There are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing HoTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Ho–Te bond distances ranging from 3.02–3.17 Å. In the second Ho3+ site, Ho3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing HoTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ho–Te bond distances ranging from 3.03–3.18 Å. In the third Ho3+ site, Ho3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing HoTe6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of Ho–Te bond distances ranging from 3.04–3.12 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five Ho3+ atoms to form TeHo5 square pyramids that share a cornercorner with one TeCsHo4 trigonal bipyramid, edges with twomore »
- Publication Date:
- Other Number(s):
- mp-18505
- 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; Cs-Ho-Te; CsHo3Te5; crystal structure
- OSTI Identifier:
- 1193140
- DOI:
- https://doi.org/10.17188/1193140
Citation Formats
Materials Data on CsHo3Te5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193140.
Materials Data on CsHo3Te5 by Materials Project. United States. doi:https://doi.org/10.17188/1193140
2020.
"Materials Data on CsHo3Te5 by Materials Project". United States. doi:https://doi.org/10.17188/1193140. https://www.osti.gov/servlets/purl/1193140. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1193140,
title = {Materials Data on CsHo3Te5 by Materials Project},
abstractNote = {CsHo3Te5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.92–4.08 Å. There are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing HoTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Ho–Te bond distances ranging from 3.02–3.17 Å. In the second Ho3+ site, Ho3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing HoTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ho–Te bond distances ranging from 3.03–3.18 Å. In the third Ho3+ site, Ho3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing HoTe6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of Ho–Te bond distances ranging from 3.04–3.12 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five Ho3+ atoms to form TeHo5 square pyramids that share a cornercorner with one TeCsHo4 trigonal bipyramid, edges with two equivalent TeHo5 square pyramids, and edges with two equivalent TeCsHo4 trigonal bipyramids. In the second Te2- site, Te2- is bonded to one Cs1+ and four Ho3+ atoms to form distorted TeCsHo4 trigonal bipyramids that share a cornercorner with one TeHo5 square pyramid, corners with two equivalent TeCsHo4 trigonal bipyramids, edges with two equivalent TeHo5 square pyramids, and edges with two equivalent TeCsHo4 trigonal bipyramids. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Ho3+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Ho3+ atoms. In the fifth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Ho3+ atoms.},
doi = {10.17188/1193140},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}