Materials Data on Sb7F29 by Materials Project

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

DOI:https://doi.org/10.17188/1203716· OSTI ID:1203716

The Materials Project

Sb7F29 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Sb7F29 ribbons oriented in the (1, 0, 0) direction. there are seven inequivalent Sb+4.14+ sites. In the first Sb+4.14+ site, Sb+4.14+ is bonded to six F1- atoms to form distorted corner-sharing SbF6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 23–52°. There are a spread of Sb–F bond distances ranging from 1.89–2.34 Å. In the second Sb+4.14+ site, Sb+4.14+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. There are a spread of Sb–F bond distances ranging from 1.89–2.02 Å. In the third Sb+4.14+ site, Sb+4.14+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. In the fourth Sb+4.14+ site, Sb+4.14+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. There are a spread of Sb–F bond distances ranging from 1.88–2.03 Å. In the fifth Sb+4.14+ site, Sb+4.14+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–2.34 Å. In the sixth Sb+4.14+ site, Sb+4.14+ is bonded in a 4-coordinate geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–2.72 Å. In the seventh Sb+4.14+ site, Sb+4.14+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. There are twenty-nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Sb+4.14+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+4.14+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+4.14+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sb+4.14+ atoms. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+4.14+ atoms. In the tenth F1- site, F1- is bonded in a distorted linear geometry to two Sb+4.14+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+4.14+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+4.14+ atoms. In the thirteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+4.14+ atoms. In the fourteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+4.14+ atoms. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to two Sb+4.14+ atoms. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the nineteenth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-first F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-second F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-third F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-sixth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-seventh F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-eighth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom. In the twenty-ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.14+ atom.

• 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: 1203716
• Report Number(s): mp-29369
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Sb7F29
F-Sb