Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “F-Ho-O-Se”

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 OSTI2020

Materials Data on HoSeO3F by Materials Project

HoSeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Ho–O bond distances ranging from 2.29–2.64 Å. There are one shorter (2.20 Å) and one longer (2.21 Å) Ho–F bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ho3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ho3+ and one Se4+ atom. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Se4O12F by Materials Project

Ho3Se4O12F crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Ho–O bond distances ranging from 2.33–2.56 Å. The Ho–F bond length is 2.35 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.72 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Se4+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2SeOF2 by Materials Project

Ho2SeOF2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 4-coordinate geometry to four equivalent Se2-, three equivalent O2-, and one F1- atom. There are two shorter (3.02 Å) and two longer (3.04 Å) Ho–Se bond lengths. There are one shorter (2.25 Å) and two longer (2.26 Å) Ho–O bond lengths. The Ho–F bond length is 2.42 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to two equivalent Se2-, one O2-, and six F1- atoms. Both Ho–Se bond lengths are 3.05 Å. The Ho–O bond length is 2.27 Å. There are a spread of Ho–F bond distances ranging from 2.35–2.42 Å. Se2- is bonded in a 6-coordinate geometry to six Ho3+ atoms. O2- is bonded to four Ho3+ atoms to form distorted OHo4 tetrahedra that share corners with two equivalent OHo4 tetrahedra, corners with two equivalent FHo4 tetrahedra, edges with two equivalent OHo4 tetrahedra, and edges with two equivalent FHo4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Ho3+ atoms. In the second F1- site, F1- is bonded to four Ho3+ atoms to form distorted FHo4 tetrahedra that share corners with two equivalent OHo4 tetrahedra, corners with six equivalent FHo4 tetrahedra, and edges with two equivalent OHo4 tetrahedra.

36 MATERIALS SCIENCE↗