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Title: Materials Data on Dy2S2O by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1308038· OSTI ID:1308038

Dy2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Dy–S bond distances ranging from 2.74–2.95 Å. The Dy–O bond length is 2.26 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to three S2- and three equivalent O2- atoms. There are a spread of Dy–S bond distances ranging from 2.78–2.95 Å. There are two shorter (2.26 Å) and one longer (2.29 Å) Dy–O bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Dy3+ atoms. O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.

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:
1308038
Report Number(s):
mp-8324
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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