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Title: Materials Data on ErZnAsO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316537· OSTI ID:1316537

ErZnAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Er–As bond lengths are 3.27 Å. All Er–O bond lengths are 2.24 Å. Zn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.57 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing OEr4 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:
1316537
Report Number(s):
mp-983603
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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