U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Cd(GeS3)2 by Materials Project
Abstract
Na2CdGe2S6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five S2- atoms to form distorted NaS5 trigonal bipyramids that share corners with three equivalent CdS4 tetrahedra, corners with five GeS4 tetrahedra, and an edgeedge with one GeS4 tetrahedra. There are a spread of Na–S bond distances ranging from 2.85–3.07 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.86–3.29 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four GeS4 tetrahedra and corners with three equivalent NaS5 trigonal bipyramids. There are a spread of Cd–S bond distances ranging from 2.56–2.58 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent CdS4 tetrahedra, corners with two equivalent GeS4 tetrahedra, a cornercorner with one NaS5 trigonal bipyramid, and an edgeedge with one NaS5 trigonal bipyramid. There are a spread of Ge–S bond distances ranging from 2.18–2.31 Å. In the secondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190146
- 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; Na2Cd(GeS3)2; Cd-Ge-Na-S
- OSTI Identifier:
- 1711568
- DOI:
- https://doi.org/10.17188/1711568
Citation Formats
The Materials Project. Materials Data on Na2Cd(GeS3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711568.
The Materials Project. Materials Data on Na2Cd(GeS3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711568
The Materials Project. 2020.
"Materials Data on Na2Cd(GeS3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711568. https://www.osti.gov/servlets/purl/1711568. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1711568,
title = {Materials Data on Na2Cd(GeS3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2CdGe2S6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five S2- atoms to form distorted NaS5 trigonal bipyramids that share corners with three equivalent CdS4 tetrahedra, corners with five GeS4 tetrahedra, and an edgeedge with one GeS4 tetrahedra. There are a spread of Na–S bond distances ranging from 2.85–3.07 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.86–3.29 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four GeS4 tetrahedra and corners with three equivalent NaS5 trigonal bipyramids. There are a spread of Cd–S bond distances ranging from 2.56–2.58 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent CdS4 tetrahedra, corners with two equivalent GeS4 tetrahedra, a cornercorner with one NaS5 trigonal bipyramid, and an edgeedge with one NaS5 trigonal bipyramid. There are a spread of Ge–S bond distances ranging from 2.18–2.31 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent CdS4 tetrahedra, corners with two equivalent GeS4 tetrahedra, and corners with four equivalent NaS5 trigonal bipyramids. There are a spread of Ge–S bond distances ranging from 2.20–2.29 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+, one Cd2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a distorted see-saw-like geometry to two Na1+, one Cd2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Na1+ and two Ge4+ atoms. In the fourth S2- site, S2- is bonded to two Na1+, one Cd2+, and one Ge4+ atom to form corner-sharing SNa2CdGe tetrahedra. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Cd2+, and one Ge4+ atom. In the sixth S2- site, S2- is bonded to two Na1+ and two Ge4+ atoms to form distorted corner-sharing SNa2Ge2 tetrahedra.},
doi = {10.17188/1711568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}