Materials Data on MgTe(BrO)6 by Materials Project
Abstract
(Mg(OBr)6)3MgO5Br4(Te)4BrOBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hydrobromic acid molecule, one hypobromous acid molecule, four tellurium molecules, three Mg(OBr)6 clusters, and one MgO5Br4 cluster. In each Mg(OBr)6 cluster, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.75 Å. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. Themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1180598
- 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; MgTe(BrO)6; Br-Mg-O-Te
- OSTI Identifier:
- 1758205
- DOI:
- https://doi.org/10.17188/1758205
Citation Formats
The Materials Project. Materials Data on MgTe(BrO)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758205.
The Materials Project. Materials Data on MgTe(BrO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1758205
The Materials Project. 2020.
"Materials Data on MgTe(BrO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1758205. https://www.osti.gov/servlets/purl/1758205. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758205,
title = {Materials Data on MgTe(BrO)6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Mg(OBr)6)3MgO5Br4(Te)4BrOBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hydrobromic acid molecule, one hypobromous acid molecule, four tellurium molecules, three Mg(OBr)6 clusters, and one MgO5Br4 cluster. In each Mg(OBr)6 cluster, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.75 Å. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.75 Å. There are five inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom. In the third Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom. In the fourth Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom. In the fifth Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom. In the MgO5Br4 cluster, Mg2+ is bonded in a distorted square pyramidal geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.77 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.77 Å. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br1+ atom. The O–Br bond length is 1.76 Å. There are four inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom. In the third Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom. In the fourth Br1+ site, Br1+ is bonded in a single-bond geometry to one O2- atom.},
doi = {10.17188/1758205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}