U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Lu3NbO7 by Materials Project
Abstract
Lu3NbO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form distorted corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Lu–O bond distances ranging from 2.19–2.24 Å. In the second Lu3+ site, Lu3+ is bonded to six O2- atoms to form distorted corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Lu–O bond distances ranging from 2.18–2.24 Å. In the third Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.05–2.51 Å. In the fourth Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.04–2.53 Å. In the fifth Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.05–2.50 Å. In the sixth Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-676725
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Lu3NbO7; Lu-Nb-O
- OSTI Identifier:
- 1283152
- DOI:
- https://doi.org/10.17188/1283152
Citation Formats
The Materials Project. Materials Data on Lu3NbO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283152.
The Materials Project. Materials Data on Lu3NbO7 by Materials Project. United States. doi:https://doi.org/10.17188/1283152
The Materials Project. 2020.
"Materials Data on Lu3NbO7 by Materials Project". United States. doi:https://doi.org/10.17188/1283152. https://www.osti.gov/servlets/purl/1283152. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1283152,
title = {Materials Data on Lu3NbO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu3NbO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form distorted corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Lu–O bond distances ranging from 2.19–2.24 Å. In the second Lu3+ site, Lu3+ is bonded to six O2- atoms to form distorted corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Lu–O bond distances ranging from 2.18–2.24 Å. In the third Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.05–2.51 Å. In the fourth Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.04–2.53 Å. In the fifth Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.05–2.50 Å. In the sixth Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.04–2.52 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Nb–O bond distances ranging from 2.01–2.39 Å. In the second Nb5+ site, Nb5+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Nb–O bond distances ranging from 2.00–2.40 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded to four Lu3+ atoms to form OLu4 tetrahedra that share corners with eight OLu4 tetrahedra and edges with four OLu3Nb tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Lu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded to four Lu3+ atoms to form OLu4 tetrahedra that share corners with ten OLu4 tetrahedra and edges with three OLu3Nb tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Lu3+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded to three Lu3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OLu3Nb tetrahedra. In the sixth O2- site, O2- is bonded to three Lu3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OLu3Nb tetrahedra. In the seventh O2- site, O2- is bonded to three Lu3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OLu3Nb tetrahedra. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Lu3+ and two Nb5+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Lu3+ and two Nb5+ atoms. In the tenth O2- site, O2- is bonded to three Lu3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OLu3Nb tetrahedra. In the eleventh O2- site, O2- is bonded to three Lu3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OLu3Nb tetrahedra. In the twelfth O2- site, O2- is bonded to three Lu3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OLu3Nb tetrahedra. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Lu3+ and two Nb5+ atoms. In the fourteenth O2- site, O2- is bonded to three Lu3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OLu3Nb tetrahedra.},
doi = {10.17188/1283152},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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