Materials Data on TeMo5O16 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1690651· OSTI ID:1690651

TeMo5O16 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are five inequivalent Mo+5.60+ sites. In the first Mo+5.60+ site, Mo+5.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.40 Å. In the second Mo+5.60+ site, Mo+5.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.40 Å. In the third Mo+5.60+ site, Mo+5.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.40 Å. In the fourth Mo+5.60+ site, Mo+5.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.40 Å. In the fifth Mo+5.60+ site, Mo+5.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.40 Å. Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.77 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo+5.60+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo+5.60+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo+5.60+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo+5.60+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo+5.60+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo+5.60+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+5.60+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+5.60+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo+5.60+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Mo+5.60+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+5.60+ and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo+5.60+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo+5.60+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mo+5.60+ and one Te4+ atom. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mo+5.60+ and one Te4+ atom. In the sixteenth O2- site, O2- is bonded in a linear geometry to two equivalent Te4+ atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1690651
• Report Number(s): mp-1217495
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mo-O-Te
TeMo5O16
crystal structure