Materials Data on ThAgPO by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1713838· OSTI ID:1713838

The Materials Project

ThAgPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Th–P bond lengths are 3.09 Å. All Th–O bond lengths are 2.41 Å. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Ag1+ and four equivalent P3- atoms. All Ag–Ag bond lengths are 2.82 Å. All Ag–P bond lengths are 2.68 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent Ag1+ atoms. O2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing OTh4 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: 1713838
• Report Number(s): mp-1079993
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ThAgPO
Ag-O-P-Th