U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScMnGe2 by Materials Project
Abstract
ScMnGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.75–2.98 Å. In the second Sc site, Sc is bonded to seven Ge atoms to form a mixture of distorted edge and corner-sharing ScGe7 pentagonal bipyramids. There are a spread of Sc–Ge bond distances ranging from 2.76–2.94 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.44–2.58 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are two shorter (2.52 Å) and four longer (2.55 Å) Mn–Ge bond lengths. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six Sc, two equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sc and two equivalentmore »
- Publication Date:
- Other Number(s):
- mp-1200195
- 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; crystal structure; Ge-Mn-Sc; ScMnGe2
- OSTI Identifier:
- 1717044
- DOI:
- https://doi.org/10.17188/1717044
Citation Formats
Materials Data on ScMnGe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717044.
Materials Data on ScMnGe2 by Materials Project. United States. doi:https://doi.org/10.17188/1717044
2020.
"Materials Data on ScMnGe2 by Materials Project". United States. doi:https://doi.org/10.17188/1717044. https://www.osti.gov/servlets/purl/1717044. Pub date:Tue Apr 28 20:00:00 EDT 2020
@article{osti_1717044,
title = {Materials Data on ScMnGe2 by Materials Project},
abstractNote = {ScMnGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.75–2.98 Å. In the second Sc site, Sc is bonded to seven Ge atoms to form a mixture of distorted edge and corner-sharing ScGe7 pentagonal bipyramids. There are a spread of Sc–Ge bond distances ranging from 2.76–2.94 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.44–2.58 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are two shorter (2.52 Å) and four longer (2.55 Å) Mn–Ge bond lengths. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six Sc, two equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sc and two equivalent Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Sc and four Mn atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Sc and four Mn atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Sc, three Mn, and one Ge atom. The Ge–Ge bond length is 2.59 Å.},
doi = {10.17188/1717044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}