Title: Materials Data on NbP2O7 by Materials Project

Abstract

NbP2O7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Nb4+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Nb–O bond lengths are 2.05 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent NbO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 8°. There is three shorter (1.52 Å) and one longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Nb4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms.

Publication Date:
Other Number(s):
mp-33528
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; crystal structure; Nb-O-P; NbP2O7
OSTI Identifier:
1206601
DOI:
https://doi.org/10.17188/1206601

Citation Formats

Materials Data on NbP2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206601.
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Materials Data on NbP2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1206601
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2020. "Materials Data on NbP2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1206601. https://www.osti.gov/servlets/purl/1206601. Pub date:Thu Apr 30 20:00:00 EDT 2020
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@article{osti_1206601,
title = {Materials Data on NbP2O7 by Materials Project},
abstractNote = {NbP2O7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Nb4+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Nb–O bond lengths are 2.05 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent NbO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 8°. There is three shorter (1.52 Å) and one longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Nb4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms.},
doi = {10.17188/1206601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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DOI: https://doi.org/10.17188/1206601
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