U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd2Te(MoO7)6 by Materials Project
Abstract
Nd2Te(Mo3O19)2(O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one Nd2Te(Mo3O19)2 ribbon oriented in the (1, 0, 0) direction. In the Nd2Te(Mo3O19)2 ribbon, Nd is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Nd–O bond distances ranging from 2.20–2.93 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.46 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.36 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.32 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–2.02 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the second O site,more »
- Publication Date:
- Other Number(s):
- mp-1181345
- 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; Mo-Nd-O-Te; Nd2Te(MoO7)6; crystal structure
- OSTI Identifier:
- 1676088
- DOI:
- https://doi.org/10.17188/1676088
Citation Formats
Materials Data on Nd2Te(MoO7)6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676088.
Materials Data on Nd2Te(MoO7)6 by Materials Project. United States. doi:https://doi.org/10.17188/1676088
2019.
"Materials Data on Nd2Te(MoO7)6 by Materials Project". United States. doi:https://doi.org/10.17188/1676088. https://www.osti.gov/servlets/purl/1676088. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1676088,
title = {Materials Data on Nd2Te(MoO7)6 by Materials Project},
abstractNote = {Nd2Te(Mo3O19)2(O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one Nd2Te(Mo3O19)2 ribbon oriented in the (1, 0, 0) direction. In the Nd2Te(Mo3O19)2 ribbon, Nd is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Nd–O bond distances ranging from 2.20–2.93 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.46 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.36 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.32 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–2.02 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom. In the seventh O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the twelfth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one O atom. The O–O bond length is 1.23 Å. In the fourteenth O site, O is bonded in a water-like geometry to one Nd and one O atom. The O–O bond length is 1.23 Å. In the fifteenth O site, O is bonded in a single-bond geometry to one O atom. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to one Nd and one O atom. The O–O bond length is 1.32 Å. In the seventeenth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the eighteenth O site, O is bonded in a single-bond geometry to one O atom. In the nineteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms.},
doi = {10.17188/1676088},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 04:00:00 UTC 2019},
month = {Fri Jan 11 04:00:00 UTC 2019}
}