U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta2P by Materials Project
Abstract
Ta2P crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are six inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted T-shaped geometry to three P atoms. There are a spread of Ta–P bond distances ranging from 2.57–2.75 Å. In the second Ta site, Ta is bonded to five P atoms to form distorted edge-sharing TaP5 trigonal bipyramids. There are a spread of Ta–P bond distances ranging from 2.50–2.56 Å. In the third Ta site, Ta is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ta–P bond distances ranging from 2.49–2.73 Å. In the fourth Ta site, Ta is bonded in a 3-coordinate geometry to three P atoms. There are two shorter (2.51 Å) and one longer (2.64 Å) Ta–P bond lengths. In the fifth Ta site, Ta is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Ta–P bond distances ranging from 2.56–3.05 Å. In the sixth Ta site, Ta is bonded in a 4-coordinate geometry to four P atoms. There are two shorter (2.56 Å) and two longer (2.60 Å) Ta–P bond lengths. There are three inequivalent P sites.more »
- Publication Date:
- Other Number(s):
- mp-22477
- 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; P-Ta; Ta2P; crystal structure
- OSTI Identifier:
- 1198391
- DOI:
- https://doi.org/10.17188/1198391
Citation Formats
Materials Data on Ta2P by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198391.
Materials Data on Ta2P by Materials Project. United States. doi:https://doi.org/10.17188/1198391
2020.
"Materials Data on Ta2P by Materials Project". United States. doi:https://doi.org/10.17188/1198391. https://www.osti.gov/servlets/purl/1198391. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1198391,
title = {Materials Data on Ta2P by Materials Project},
abstractNote = {Ta2P crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are six inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted T-shaped geometry to three P atoms. There are a spread of Ta–P bond distances ranging from 2.57–2.75 Å. In the second Ta site, Ta is bonded to five P atoms to form distorted edge-sharing TaP5 trigonal bipyramids. There are a spread of Ta–P bond distances ranging from 2.50–2.56 Å. In the third Ta site, Ta is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ta–P bond distances ranging from 2.49–2.73 Å. In the fourth Ta site, Ta is bonded in a 3-coordinate geometry to three P atoms. There are two shorter (2.51 Å) and one longer (2.64 Å) Ta–P bond lengths. In the fifth Ta site, Ta is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Ta–P bond distances ranging from 2.56–3.05 Å. In the sixth Ta site, Ta is bonded in a 4-coordinate geometry to four P atoms. There are two shorter (2.56 Å) and two longer (2.60 Å) Ta–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to eight Ta atoms. In the second P site, P is bonded to seven Ta atoms to form distorted edge-sharing PTa7 pentagonal bipyramids. In the third P site, P is bonded in a 9-coordinate geometry to nine Ta atoms.},
doi = {10.17188/1198391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}