Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Zn4As2O9”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zn4As2O9 by Materials Project

Zn4As2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to five O2- atoms to form distorted ZnO5 trigonal bipyramids that share corners with four AsO4 tetrahedra, corners with two equivalent ZnO5 trigonal bipyramids, corners with three equivalent ZnO4 trigonal pyramids, and an edgeedge with one ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.18 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 trigonal pyramids that share corners with two AsO4 tetrahedra, corners with four ZnO5 trigonal bipyramids, an edgeedge with one ZnO5 trigonal bipyramid, and an edgeedge with one ZnO4 trigonal pyramid. There are three shorter (1.96 Å) and one longer (2.11 Å) Zn–O bond lengths. In the third Zn2+ site, Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share corners with six AsO4 tetrahedra, an edgeedge with one ZnO6 octahedra, and edges with two ZnO5 trigonal bipyramids. There are a spread of Zn–O bond distances ranging from 2.05–2.35 Å. In the fourth Zn2+ site, Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with four AsO4 tetrahedra, corners with two equivalent ZnO5 trigonal bipyramids, a cornercorner with one ZnO4 trigonal pyramid, an edgeedge with one ZnO6 octahedra, and an edgeedge with one ZnO4 trigonal pyramid. There are a spread of Zn–O bond distances ranging from 2.03–2.20 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent ZnO6 octahedra, corners with three ZnO5 trigonal bipyramids, and a cornercorner with one ZnO4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 40–58°. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent ZnO6 octahedra, corners with five ZnO5 trigonal bipyramids, and a cornercorner with one ZnO4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 63–67°. There are a spread of As–O bond distances ranging from 1.72–1.76 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to four Zn2+ atoms to form distorted edge-sharing OZn4 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Zn2+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Zn2+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Zn2+ and one As5+ atom. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Zn2+ and one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn4As2O9 by Materials Project

Zn4As2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are eight inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.05–2.56 Å. In the second Zn2+ site, Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.02–2.17 Å. In the third Zn2+ site, Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share a cornercorner with one ZnO4 tetrahedra, corners with four AsO4 tetrahedra, corners with three ZnO5 trigonal bipyramids, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.02–2.13 Å. In the fourth Zn2+ site, Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with two equivalent ZnO4 tetrahedra, corners with four AsO4 tetrahedra, and corners with three ZnO5 trigonal bipyramids. There are a spread of Zn–O bond distances ranging from 2.03–2.16 Å. In the fifth Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two AsO4 tetrahedra, corners with five ZnO5 trigonal bipyramids, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 1.92–2.03 Å. In the sixth Zn2+ site, Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with three AsO4 tetrahedra, corners with four ZnO5 trigonal bipyramids, an edgeedge with one ZnO4 tetrahedra, and edges with two ZnO5 trigonal bipyramids. There are a spread of Zn–O bond distances ranging from 1.98–2.39 Å. In the seventh Zn2+ site, Zn2+ is bonded to five O2- atoms to form distorted ZnO5 trigonal bipyramids that share a cornercorner with one ZnO4 tetrahedra, corners with four AsO4 tetrahedra, corners with two ZnO5 trigonal bipyramids, and edges with two ZnO5 trigonal bipyramids. There are a spread of Zn–O bond distances ranging from 1.96–2.26 Å. In the eighth Zn2+ site, Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share a cornercorner with one ZnO4 tetrahedra, corners with four AsO4 tetrahedra, corners with two ZnO5 trigonal bipyramids, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.02–2.24 Å. There are four inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four ZnO5 trigonal bipyramids. There are a spread of As–O bond distances ranging from 1.72–1.74 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share a cornercorner with one ZnO4 tetrahedra and corners with two ZnO5 trigonal bipyramids. There are a spread of As–O bond distances ranging from 1.69–1.75 Å. In the third As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share a cornercorner with one ZnO4 tetrahedra and corners with five ZnO5 trigonal bipyramids. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the fourth As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with eight ZnO5 trigonal bipyramids. There are a spread of As–O bond distances ranging from 1.70–1.79 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Zn2+ and one As5+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one As5+ atom. In the fourth O2- site, O2- is bonded to three Zn2+ and one As5+ atom to form corner-sharing OZn3As tetrahedra. In the fifth O2- site, O2- is bonded to four Zn2+ atoms to form distorted OZn4 trigonal pyramids that share corners with two equivalent OZn3As tetrahedra and an edgeedge with one OZn4 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one As5+ atom. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one As5+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Zn2+ and one As5+ atom. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to two Zn2+ and one As5+ atom. In the twelfth O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one As5+ atom. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+ and one As5+ atom. In the fourteenth O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one As5+ atom. In the fifteenth O2- site, O2- is bonded to four Zn2+ atoms to form OZn4 tetrahedra that share corners with two equivalent OZn3As tetrahedra and an edgeedge with one OZn4 trigonal pyramid. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one As5+ atom. In the seventeenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one As5+ atom. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Zn2+ and one As5+ atom.

36 MATERIALS SCIENCE↗