Materials Data on Sr4Sb2O by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1289890· OSTI ID:1289890

Sr4Sb2O is (La,Ba)CuO4 structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five Sb3- and one O2- atom to form a mixture of distorted corner and edge-sharing SrSb5O octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Sr–Sb bond distances ranging from 3.37–3.60 Å. The Sr–O bond length is 2.93 Å. In the second Sr2+ site, Sr2+ is bonded in a linear geometry to four Sb3- and two equivalent O2- atoms. There are three shorter (3.47 Å) and one longer (3.48 Å) Sr–Sb bond lengths. There are one shorter (2.50 Å) and one longer (2.51 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded to five Sb3- and one O2- atom to form a mixture of distorted corner and edge-sharing SrSb5O octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Sr–Sb bond distances ranging from 3.37–3.60 Å. The Sr–O bond length is 2.94 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 9-coordinate geometry to nine Sr2+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to nine Sr2+ atoms. O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

• 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: 1289890
• Report Number(s): mp-755293
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
O-Sb-Sr
Sr4Sb2O
crystal structure