Materials Data on Nd10Se19 by Materials Project
Nd10Se19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are ten inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.00–3.26 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.00–3.16 Å. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.00–3.15 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 2.99–3.22 Å. In the fifth Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.00–3.16 Å. In the sixth Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.04–3.20 Å. In the seventh Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.02–3.21 Å. In the eighth Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.02–3.20 Å. In the ninth Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.03–3.20 Å. In the tenth Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.00–3.14 Å. There are nineteen inequivalent Se+1.58- sites. In the first Se+1.58- site, Se+1.58- is bonded in a 7-coordinate geometry to four Nd3+ and one Se+1.58- atom. The Se–Se bond length is 2.73 Å. In the second Se+1.58- site, Se+1.58- is bonded in a 7-coordinate geometry to four Nd3+ and one Se+1.58- atom. The Se–Se bond length is 2.71 Å. In the third Se+1.58- site, Se+1.58- is bonded in a 8-coordinate geometry to four Nd3+ and four Se+1.58- atoms. There are a spread of Se–Se bond distances ranging from 2.86–3.10 Å. In the fourth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the fifth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the sixth Se+1.58- site, Se+1.58- is bonded in a 8-coordinate geometry to four Nd3+ and four Se+1.58- atoms. There are a spread of Se–Se bond distances ranging from 2.84–3.11 Å. In the seventh Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the eighth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the ninth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the tenth Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four Nd3+ and one Se+1.58- atom. In the eleventh Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the twelfth Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four Nd3+ and one Se+1.58- atom. In the thirteenth Se+1.58- site, Se+1.58- is bonded in a 5-coordinate geometry to four Nd3+ and two Se+1.58- atoms. The Se–Se bond length is 2.51 Å. In the fourteenth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the fifteenth Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four Nd3+ atoms. In the sixteenth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the seventeenth Se+1.58- site, Se+1.58- is bonded in a 5-coordinate geometry to four Nd3+ and two Se+1.58- atoms. The Se–Se bond length is 2.51 Å. In the eighteenth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the nineteenth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1282388
- Report Number(s):
- mp-673692
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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