Search Navigation Menu
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scientific Data

Title: Materials Data on La9Ge5S21 by Materials Project

Abstract

La9Ge5S21 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eighteen inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.06 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.48 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.47 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.43 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.47 Å. In the sixth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.08 Å. In the seventh La3+ site, La3+ is bonded in a 7-coordinate geometry to eightmore » S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.53 Å. In the eighth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.47 Å. In the ninth La3+ site, La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.49 Å. In the tenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.44 Å. In the eleventh La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.44 Å. In the twelfth La3+ site, La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.82–3.50 Å. In the thirteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.09 Å. In the fourteenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.44 Å. In the fifteenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.92–3.37 Å. In the sixteenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.88–3.43 Å. In the seventeenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.44 Å. In the eighteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.81–3.52 Å. There are ten inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.23–2.26 Å. In the second Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.23–2.26 Å. In the third Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.41–2.45 Å. In the fourth Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.27 Å) and three longer (2.29 Å) Ge–S bond lengths. In the fifth Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.26 Å. In the sixth Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.23 Å) and three longer (2.25 Å) Ge–S bond lengths. In the seventh Ge3+ site, Ge3+ is bonded to six S2- atoms to form face-sharing GeS6 octahedra. There are a spread of Ge–S bond distances ranging from 2.54–2.90 Å. In the eighth Ge3+ site, Ge3+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Ge–S bond distances ranging from 2.66–2.81 Å. In the ninth Ge3+ site, Ge3+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Ge–S bond distances ranging from 2.62–2.84 Å. In the tenth Ge3+ site, Ge3+ is bonded to six S2- atoms to form face-sharing GeS6 octahedra. There are a spread of Ge–S bond distances ranging from 2.55–2.92 Å. There are forty-two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the eighth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the ninth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the tenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the eleventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the twelfth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the thirteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the fourteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the fifteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the sixteenth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Ge3+ atom. In the seventeenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the eighteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the nineteenth S2- site, S2- is bonded in a 5-coordinate geometry to three La3+ and two Ge3+ atoms. In the twentieth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-first S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-second S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-third S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-fourth S2- site, S2- is bonded in a 5-coordinate geometry to three La3+ and two Ge3+ atoms. In the twenty-fifth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and two Ge3+ atoms. In the twenty-sixth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-seventh S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-eighth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-ninth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirtieth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and two Ge3+ atoms. In the thirty-first S2- site, S2- is bonded in a 5-coordinate geometry to three La3+ and two Ge3+ atoms. In the thirty-second S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirty-third S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirty-fourth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirty-fifth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirty-sixth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and two Ge3+ atoms. In the thirty-seventh S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom. In the thirty-eighth S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom. In the thirty-ninth S2- site, S2- is bonded in a tetrahedral geometry to three La3+ and one Ge3+ atom. In the fortieth S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom. In the forty-first S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom. In the forty-second S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1227391
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; La9Ge5S21; Ge-La-S
OSTI Identifier:
1679797
DOI:
https://doi.org/10.17188/1679797

Citation Formats

The Materials Project. Materials Data on La9Ge5S21 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1679797.
Copy to clipboard
The Materials Project. Materials Data on La9Ge5S21 by Materials Project. United States. doi:https://doi.org/10.17188/1679797
Copy to clipboard
The Materials Project. 2019. "Materials Data on La9Ge5S21 by Materials Project". United States. doi:https://doi.org/10.17188/1679797. https://www.osti.gov/servlets/purl/1679797. Pub date:Sun Jan 13 00:00:00 EST 2019
Copy to clipboard
@article{osti_1679797,
title = {Materials Data on La9Ge5S21 by Materials Project},
author = {The Materials Project},
abstractNote = {La9Ge5S21 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eighteen inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.06 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.48 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.47 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.43 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.47 Å. In the sixth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.08 Å. In the seventh La3+ site, La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.53 Å. In the eighth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.47 Å. In the ninth La3+ site, La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.49 Å. In the tenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.44 Å. In the eleventh La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.44 Å. In the twelfth La3+ site, La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.82–3.50 Å. In the thirteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.09 Å. In the fourteenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.44 Å. In the fifteenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.92–3.37 Å. In the sixteenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.88–3.43 Å. In the seventeenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.44 Å. In the eighteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.81–3.52 Å. There are ten inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.23–2.26 Å. In the second Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.23–2.26 Å. In the third Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.41–2.45 Å. In the fourth Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.27 Å) and three longer (2.29 Å) Ge–S bond lengths. In the fifth Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.26 Å. In the sixth Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.23 Å) and three longer (2.25 Å) Ge–S bond lengths. In the seventh Ge3+ site, Ge3+ is bonded to six S2- atoms to form face-sharing GeS6 octahedra. There are a spread of Ge–S bond distances ranging from 2.54–2.90 Å. In the eighth Ge3+ site, Ge3+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Ge–S bond distances ranging from 2.66–2.81 Å. In the ninth Ge3+ site, Ge3+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Ge–S bond distances ranging from 2.62–2.84 Å. In the tenth Ge3+ site, Ge3+ is bonded to six S2- atoms to form face-sharing GeS6 octahedra. There are a spread of Ge–S bond distances ranging from 2.55–2.92 Å. There are forty-two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the eighth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the ninth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the tenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the eleventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the twelfth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the thirteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the fourteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the fifteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the sixteenth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Ge3+ atom. In the seventeenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the eighteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ge3+ atom. In the nineteenth S2- site, S2- is bonded in a 5-coordinate geometry to three La3+ and two Ge3+ atoms. In the twentieth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-first S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-second S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-third S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-fourth S2- site, S2- is bonded in a 5-coordinate geometry to three La3+ and two Ge3+ atoms. In the twenty-fifth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and two Ge3+ atoms. In the twenty-sixth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-seventh S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-eighth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the twenty-ninth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirtieth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and two Ge3+ atoms. In the thirty-first S2- site, S2- is bonded in a 5-coordinate geometry to three La3+ and two Ge3+ atoms. In the thirty-second S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirty-third S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirty-fourth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirty-fifth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Ge3+ atom. In the thirty-sixth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and two Ge3+ atoms. In the thirty-seventh S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom. In the thirty-eighth S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom. In the thirty-ninth S2- site, S2- is bonded in a tetrahedral geometry to three La3+ and one Ge3+ atom. In the fortieth S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom. In the forty-first S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom. In the forty-second S2- site, S2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge3+ atom.},
doi = {10.17188/1679797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1679797
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: