Materials Data on Gd10S19 by Materials Project
Gd10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.79–3.04 Å. In the second Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.83–2.94 Å. In the third Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.83–3.10 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Gd3+ and one S+1.58- atom. The S–S bond length is 2.15 Å. In the second S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Gd3+ atoms. In the third S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the fifth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Gd3+ and one S+1.58- atom. In the sixth S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1280601
- Report Number(s):
- mp-646008
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Gd2S3 by Materials Project
Materials Data on Gd10S14O by Materials Project
Materials Data on Gd2S3 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1281646
Materials Data on Gd10S14O by Materials Project
Dataset
·
Wed Jun 04 00:00:00 EDT 2014
·
OSTI ID:1269351
Materials Data on Gd2S3 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1277606