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Title: Materials Data on ScClO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316961· OSTI ID:1316961

ScOCl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one ScOCl sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a distorted single-bond geometry to one O2- and four equivalent Cl1- atoms. The Sc–O bond length is 1.78 Å. All Sc–Cl bond lengths are 2.69 Å. O2- is bonded in a single-bond geometry to one Sc3+ atom. Cl1- is bonded to four equivalent Sc3+ atoms to form a mixture of corner and edge-sharing ClSc4 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:
1316961
Report Number(s):
mp-990436
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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