U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg5Si9 by Materials Project
Abstract
Mg5Si9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to two Mg and seven Si atoms. There are one shorter (3.03 Å) and one longer (3.08 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.82–3.18 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.92–3.26 Å. In the third Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–3.14 Å. In the fourth Mg site, Mg is bonded in a 7-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.19 Å. In the fifth Mg site, Mg is bonded in a 4-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.03 Å. In the sixth Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances rangingmore »
- Publication Date:
- Other Number(s):
- mp-1075693
- 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; Mg-Si; Mg5Si9; crystal structure
- OSTI Identifier:
- 1700078
- DOI:
- https://doi.org/10.17188/1700078
Citation Formats
Materials Data on Mg5Si9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700078.
Materials Data on Mg5Si9 by Materials Project. United States. doi:https://doi.org/10.17188/1700078
2020.
"Materials Data on Mg5Si9 by Materials Project". United States. doi:https://doi.org/10.17188/1700078. https://www.osti.gov/servlets/purl/1700078. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1700078,
title = {Materials Data on Mg5Si9 by Materials Project},
abstractNote = {Mg5Si9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to two Mg and seven Si atoms. There are one shorter (3.03 Å) and one longer (3.08 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.82–3.18 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.92–3.26 Å. In the third Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–3.14 Å. In the fourth Mg site, Mg is bonded in a 7-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.19 Å. In the fifth Mg site, Mg is bonded in a 4-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.03 Å. In the sixth Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.04 Å. In the seventh Mg site, Mg is bonded in a 6-coordinate geometry to two Mg and seven Si atoms. There are one shorter (3.21 Å) and one longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.74–3.19 Å. In the eighth Mg site, Mg is bonded in a 10-coordinate geometry to three Mg and eleven Si atoms. The Mg–Mg bond length is 3.22 Å. There are a spread of Mg–Si bond distances ranging from 2.69–3.23 Å. In the ninth Mg site, Mg is bonded in a 7-coordinate geometry to two Mg and seven Si atoms. The Mg–Mg bond length is 3.25 Å. There are a spread of Mg–Si bond distances ranging from 2.81–3.04 Å. In the tenth Mg site, Mg is bonded in a 9-coordinate geometry to three Mg and eleven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.72–3.17 Å. There are eighteen inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to two Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.53–2.74 Å. In the second Si site, Si is bonded in a 6-coordinate geometry to two Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.44–2.92 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to five Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.44–2.89 Å. In the fourth Si site, Si is bonded in a 5-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.46–2.51 Å. In the fifth Si site, Si is bonded in a 10-coordinate geometry to five Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.55–2.66 Å. In the sixth Si site, Si is bonded in a 5-coordinate geometry to two Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.46–2.56 Å. In the seventh Si site, Si is bonded in a 7-coordinate geometry to four Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.90 Å. In the eighth Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. There are one shorter (2.45 Å) and one longer (2.56 Å) Si–Si bond lengths. In the ninth Si site, Si is bonded in a 6-coordinate geometry to three Mg and three Si atoms. The Si–Si bond length is 2.45 Å. In the tenth Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. In the eleventh Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. There are one shorter (2.41 Å) and one longer (2.59 Å) Si–Si bond lengths. In the twelfth Si site, Si is bonded in a 10-coordinate geometry to five Mg and five Si atoms. The Si–Si bond length is 2.57 Å. In the thirteenth Si site, Si is bonded in a 1-coordinate geometry to five Mg and four Si atoms. The Si–Si bond length is 2.44 Å. In the fourteenth Si site, Si is bonded in a 7-coordinate geometry to four Mg and three Si atoms. The Si–Si bond length is 2.48 Å. In the fifteenth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. In the sixteenth Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. In the seventeenth Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. In the eighteenth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms.},
doi = {10.17188/1700078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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