DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ho2Te(Mo3O23)2 by Materials Project

Abstract

Ho2Te(Mo3O19)2(O2)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules and one Ho2Te(Mo3O19)2 ribbon oriented in the (0, 1, 0) direction. In the Ho2Te(Mo3O19)2 ribbon, Ho is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.19–3.00 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 1.70–2.53 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 1.71–2.65 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 1.72–2.36 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.95–2.07 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Mo, one Te, and one O atom. The O–O bondmore » length is 1.40 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Te atom. 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 120 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a trigonal planar geometry to two Mo and one O atom. The O–O bond length is 1.38 Å. In the seventh O site, O is bonded in a single-bond geometry to one Mo atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Ho and one Mo atom. 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 Ho and one Mo atom. In the eleventh O site, O is bonded in a single-bond geometry to 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 150 degrees geometry to one Ho and one O atom. The O–O bond length is 1.24 Å. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ho and one O atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ho and one O atom. In the sixteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Ho and one O atom. The O–O bond length is 1.43 Å. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 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 single-bond geometry to one O atom.« less

Publication Date:
Other Number(s):
mp-1204277
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ho2Te(Mo3O23)2; Ho-Mo-O-Te
OSTI Identifier:
1729932
DOI:
https://doi.org/10.17188/1729932

Citation Formats

The Materials Project. Materials Data on Ho2Te(Mo3O23)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729932.
The Materials Project. Materials Data on Ho2Te(Mo3O23)2 by Materials Project. United States. doi:https://doi.org/10.17188/1729932
The Materials Project. 2019. "Materials Data on Ho2Te(Mo3O23)2 by Materials Project". United States. doi:https://doi.org/10.17188/1729932. https://www.osti.gov/servlets/purl/1729932. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729932,
title = {Materials Data on Ho2Te(Mo3O23)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2Te(Mo3O19)2(O2)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules and one Ho2Te(Mo3O19)2 ribbon oriented in the (0, 1, 0) direction. In the Ho2Te(Mo3O19)2 ribbon, Ho is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.19–3.00 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 1.70–2.53 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 1.71–2.65 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 1.72–2.36 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.95–2.07 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Mo, one Te, and one O atom. The O–O bond length is 1.40 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Te atom. 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 120 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a trigonal planar geometry to two Mo and one O atom. The O–O bond length is 1.38 Å. In the seventh O site, O is bonded in a single-bond geometry to one Mo atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Ho and one Mo atom. 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 Ho and one Mo atom. In the eleventh O site, O is bonded in a single-bond geometry to 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 150 degrees geometry to one Ho and one O atom. The O–O bond length is 1.24 Å. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ho and one O atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ho and one O atom. In the sixteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Ho and one O atom. The O–O bond length is 1.43 Å. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 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 single-bond geometry to one O atom.},
doi = {10.17188/1729932},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}