Materials Data on SrCa3Ag4 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1681876· OSTI ID:1681876

SrCa3Ag4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.29–3.33 Å. There are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.14–3.26 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.15–3.45 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.20–3.26 Å. There are four inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to one Sr, six Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.91 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to two equivalent Sr, five Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.97 Å. In the third Ag site, Ag is bonded in a 9-coordinate geometry to four equivalent Sr, three Ca, and two equivalent Ag atoms. In the fourth Ag site, Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1681876
• Report Number(s): mp-1218380
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-Ca-Sr
SrCa3Ag4
crystal structure