U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy2(Ni5B3)3 by Materials Project
Abstract
DyDy(Ni5B3)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional and consists of eight dysprosium molecules and one Dy(Ni5B3)3 framework. In the Dy(Ni5B3)3 framework, Dy3+ is bonded in a 2-coordinate geometry to six B3- atoms. There are a spread of Dy–B bond distances ranging from 2.78–2.94 Å. There are ten inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded in a distorted rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 1.96–2.15 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.34 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.07–2.15 Å. In the fourth Ni+1.40+ site, Ni+1.40+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 1.98–2.14 Å. In the fifth Ni+1.40+ site, Ni+1.40+ is bonded in an octahedral geometry to six B3- atoms. There are two shorter (2.36 Å) and four longer (2.48 Å) Ni–B bond lengths. Inmore »
- Publication Date:
- Other Number(s):
- mp-1198877
- 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; B-Dy-Ni; Dy2(Ni5B3)3; crystal structure
- OSTI Identifier:
- 1727650
- DOI:
- https://doi.org/10.17188/1727650
Citation Formats
Materials Data on Dy2(Ni5B3)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1727650.
Materials Data on Dy2(Ni5B3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1727650
2019.
"Materials Data on Dy2(Ni5B3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1727650. https://www.osti.gov/servlets/purl/1727650. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1727650,
title = {Materials Data on Dy2(Ni5B3)3 by Materials Project},
abstractNote = {DyDy(Ni5B3)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional and consists of eight dysprosium molecules and one Dy(Ni5B3)3 framework. In the Dy(Ni5B3)3 framework, Dy3+ is bonded in a 2-coordinate geometry to six B3- atoms. There are a spread of Dy–B bond distances ranging from 2.78–2.94 Å. There are ten inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded in a distorted rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 1.96–2.15 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.34 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.07–2.15 Å. In the fourth Ni+1.40+ site, Ni+1.40+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 1.98–2.14 Å. In the fifth Ni+1.40+ site, Ni+1.40+ is bonded in an octahedral geometry to six B3- atoms. There are two shorter (2.36 Å) and four longer (2.48 Å) Ni–B bond lengths. In the sixth Ni+1.40+ site, Ni+1.40+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.01 Å) and two longer (2.15 Å) Ni–B bond lengths. In the seventh Ni+1.40+ site, Ni+1.40+ is bonded in a distorted T-shaped geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.56 Å. In the eighth Ni+1.40+ site, Ni+1.40+ is bonded in a see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.16 Å. In the ninth Ni+1.40+ site, Ni+1.40+ is bonded in a 4-coordinate geometry to four B3- atoms. There are two shorter (2.02 Å) and two longer (2.07 Å) Ni–B bond lengths. In the tenth Ni+1.40+ site, Ni+1.40+ is bonded in a distorted rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.15–2.23 Å. There are six inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to one Dy3+, seven Ni+1.40+, and one B3- atom. The B–B bond length is 1.98 Å. In the second B3- site, B3- is bonded to seven Ni+1.40+ atoms to form distorted corner-sharing BNi7 pentagonal bipyramids. In the third B3- site, B3- is bonded in a 9-coordinate geometry to eight Ni+1.40+ and one B3- atom. The B–B bond length is 1.87 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to eight Ni+1.40+ and one B3- atom. In the fifth B3- site, B3- is bonded in a 6-coordinate geometry to one Dy3+, six Ni+1.40+, and one B3- atom. The B–B bond length is 1.71 Å. In the sixth B3- site, B3- is bonded in a 9-coordinate geometry to one Dy3+, seven Ni+1.40+, and one B3- atom.},
doi = {10.17188/1727650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 23:00:00 EST 2019},
month = {Fri Jan 11 23:00:00 EST 2019}
}