U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb8P5 by Materials Project
Abstract
Nb8P5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are sixteen inequivalent Nb sites. In the first Nb site, Nb is bonded to five P atoms to form a mixture of distorted edge and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.51–2.57 Å. In the second Nb site, Nb is bonded to five P atoms to form a mixture of distorted edge and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.44–2.56 Å. In the third Nb site, Nb is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.50–2.95 Å. In the fourth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.50–2.90 Å. In the fifth Nb site, Nb is bonded to five P atoms to form a mixture of distorted edge and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.45–2.60 Å. In the sixth Nb site, Nb is bonded to five P atoms to form a mixture of distortedmore »
- Publication Date:
- Other Number(s):
- mp-1220618
- 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; Nb-P; Nb8P5; crystal structure
- OSTI Identifier:
- 1699603
- DOI:
- https://doi.org/10.17188/1699603
Citation Formats
Materials Data on Nb8P5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699603.
Materials Data on Nb8P5 by Materials Project. United States. doi:https://doi.org/10.17188/1699603
2020.
"Materials Data on Nb8P5 by Materials Project". United States. doi:https://doi.org/10.17188/1699603. https://www.osti.gov/servlets/purl/1699603. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1699603,
title = {Materials Data on Nb8P5 by Materials Project},
abstractNote = {Nb8P5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are sixteen inequivalent Nb sites. In the first Nb site, Nb is bonded to five P atoms to form a mixture of distorted edge and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.51–2.57 Å. In the second Nb site, Nb is bonded to five P atoms to form a mixture of distorted edge and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.44–2.56 Å. In the third Nb site, Nb is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.50–2.95 Å. In the fourth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.50–2.90 Å. In the fifth Nb site, Nb is bonded to five P atoms to form a mixture of distorted edge and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.45–2.60 Å. In the sixth Nb site, Nb is bonded to five P atoms to form a mixture of distorted edge and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.53–2.59 Å. In the seventh Nb site, Nb is bonded in a distorted square co-planar geometry to four P atoms. There are two shorter (2.54 Å) and two longer (2.64 Å) Nb–P bond lengths. In the eighth Nb site, Nb is bonded in a distorted rectangular see-saw-like geometry to four P atoms. All Nb–P bond lengths are 2.59 Å. In the ninth Nb site, Nb is bonded in a distorted rectangular see-saw-like geometry to four P atoms. There are a spread of Nb–P bond distances ranging from 2.64–2.72 Å. In the tenth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.47–2.70 Å. In the eleventh Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.47–2.74 Å. In the twelfth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.50–2.64 Å. In the thirteenth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.50–2.69 Å. In the fourteenth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.52–2.72 Å. In the fifteenth Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.51–2.74 Å. In the sixteenth Nb site, Nb is bonded in a 3-coordinate geometry to three P atoms. There are a spread of Nb–P bond distances ranging from 2.79–2.94 Å. There are ten inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to eight Nb atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Nb atoms. In the third P site, P is bonded in a 7-coordinate geometry to seven Nb atoms. In the fourth P site, P is bonded in a 7-coordinate geometry to seven Nb atoms. In the fifth P site, P is bonded in a 8-coordinate geometry to eight Nb atoms. In the sixth P site, P is bonded to seven Nb atoms to form distorted face-sharing PNb7 pentagonal bipyramids. In the seventh P site, P is bonded in a 7-coordinate geometry to seven Nb atoms. In the eighth P site, P is bonded in a 8-coordinate geometry to eight Nb atoms. In the ninth P site, P is bonded to seven Nb atoms to form distorted edge-sharing PNb7 pentagonal bipyramids. In the tenth P site, P is bonded in a 7-coordinate geometry to seven Nb atoms.},
doi = {10.17188/1699603},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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