Search NASA⌕ Search

SEARCH · Search NASA

Results for “Fe-O-Rb-S”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on Rb5Fe3(SO5)6 by Materials Project

Rb5Fe3(SO5)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.60 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.35 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.42 Å. In the fourth Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.49 Å. In the fifth Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.52 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two FeO6 octahedra and corners with four SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are a spread of Fe–O bond distances ranging from 1.98–2.06 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two FeO6 octahedra and corners with four SO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Fe–O bond distances ranging from 1.86–2.07 Å. In the third Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two FeO6 octahedra and corners with four SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are a spread of Fe–O bond distances ranging from 2.01–2.07 Å. There are six inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. In the third S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 46–50°. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. In the fourth S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. In the fifth S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. In the sixth S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. There are thirty inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one Fe, and one S atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Rb, one Fe, and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the seventh O site, O is bonded in a trigonal planar geometry to three Fe atoms. In the eighth O site, O is bonded in a distorted single-bond geometry to two Rb and one Fe atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Rb and one Fe atom. In the tenth O site, O is bonded in a distorted water-like geometry to one Rb and one Fe atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to three Rb atoms. In the twelfth O site, O is bonded in a distorted T-shaped geometry to three Rb atoms. In the thirteenth O site, O is bonded in a 2-coordinate geometry to one Rb, one Fe, and one S atom. In the fourteenth O site, O is bonded in a 2-coordinate geometry to one Rb, one Fe, and one S atom. In the fifteenth O site, O is bonded in a single-bond geometry to two Rb and one S atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the seventeenth O site, O is bonded in a distorted bent 150 degrees geometry to two Rb, one Fe, and one S atom. In the eighteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Fe and one S atom. In the nineteenth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the twentieth O site, O is bonded in a single-bond geometry to two Rb and one S atom. In the twenty-first O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Fe, and one S atom. In the twenty-second O site, O is bonded in a 2-coordinate geometry to one Rb, one Fe, and one S atom. In the twenty-third O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the twenty-fourth O site, O is bonded in a single-bond geometry to two Rb and one S atom. In the twenty-fifth O site, O is bonded in a 2-coordinate geometry to one Rb, one Fe, and one S atom. In the twenty-sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Fe, and one S atom. In the twenty-seventh O site, O is bonded in a single-bond geometry to one S atom. In the twenty-eighth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the twenty-ninth O site, O is bonded in a 2-coordinate geometry to one Rb, one Fe, and one S atom. In the thirtieth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb, one Fe, and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Fe2(SO4)3 by Materials Project

Rb2Fe2(SO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.25 Å. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to fifteen O2- atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.52 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.14 Å) and three longer (2.15 Å) Fe–O bond lengths. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Fe–O bond lengths are 2.16 Å. S+5.33+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four FeO6 octahedra. The corner-sharing octahedra tilt angles range from 13–48°. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Fe3+, and one S+5.33+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Rb1+, one Fe3+, and one S+5.33+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Fe3+, and one S+5.33+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+, one Fe3+, and one S+5.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbFe(SO4)2 by Materials Project

RbFe(SO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent SO4 tetrahedra, and faces with two equivalent FeO6 octahedra. There are six shorter (3.03 Å) and six longer (3.40 Å) Rb–O bond lengths. Fe3+ is bonded to six equivalent O2- atoms to form distorted FeO6 octahedra that share corners with six equivalent SO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Fe–O bond lengths are 2.00 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent FeO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 35°. There is one shorter (1.47 Å) and three longer (1.49 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+, one Fe3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom.

36 MATERIALS SCIENCE↗