Materials Data on Sr3CaAg4 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1718749· OSTI ID:1718749

Sr3CaAg4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are nine inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.32–3.40 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.28–3.44 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.29–3.44 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.30–3.44 Å. In the fifth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.31–3.41 Å. In the sixth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.29–3.43 Å. In the seventh Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.24–3.39 Å. In the eighth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.24–3.38 Å. In the ninth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.24–3.39 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 3.22–3.39 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 3.18–3.44 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 3.22–3.39 Å. There are eleven inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six Sr, one Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.96 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to six Sr, one Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.96 Å. In the third Ag site, Ag is bonded in a 9-coordinate geometry to six Sr, one Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.96 Å. In the fourth Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.97 Å. In the fifth Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms. In the sixth Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms. In the seventh Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms. In the eighth Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms. In the ninth Ag site, Ag is bonded in a 9-coordinate geometry to three Sr, four Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.03 Å. In the tenth Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.00 Å. In the eleventh Ag site, Ag is bonded in a 9-coordinate geometry to five Sr, two equivalent 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: 1718749
• Report Number(s): mp-1218586
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-Ca-Sr
Sr3CaAg4
crystal structure