Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Zn”

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.

At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Hf3Zn3N by Materials Project

Hf3Zn3N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a distorted bent 150 degrees geometry to six Zn and two equivalent N atoms. There are two shorter (2.86 Å) and four longer (3.13 Å) Hf–Zn bond lengths. Both Hf–N bond lengths are 2.25 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Hf and six Zn atoms to form distorted ZnHf6Zn6 cuboctahedra that share corners with nine ZnHf6Zn6 cuboctahedra, corners with three equivalent NHf6 octahedra, faces with thirteen ZnHf6Zn6 cuboctahedra, and faces with three equivalent NHf6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (2.60 Å) and three longer (2.81 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to six equivalent Hf and six equivalent Zn atoms to form ZnHf6Zn6 cuboctahedra that share corners with six equivalent ZnHf6Zn6 cuboctahedra, edges with six equivalent NHf6 octahedra, and faces with fourteen ZnHf6Zn6 cuboctahedra. N is bonded to six equivalent Hf atoms to form NHf6 octahedra that share corners with six equivalent ZnHf6Zn6 cuboctahedra, corners with six equivalent NHf6 octahedra, edges with six equivalent ZnHf6Zn6 cuboctahedra, and faces with six equivalent ZnHf6Zn6 cuboctahedra. The corner-sharing octahedral tilt angles are 37°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr3Zn3N by Materials Project

Zr3Zn3N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a distorted bent 150 degrees geometry to six Zn and two equivalent N atoms. There are two shorter (2.92 Å) and four longer (3.16 Å) Zr–Zn bond lengths. Both Zr–N bond lengths are 2.28 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Zr and six Zn atoms to form distorted ZnZr6Zn6 cuboctahedra that share corners with nine ZnZr6Zn6 cuboctahedra, corners with three equivalent NZr6 octahedra, faces with thirteen ZnZr6Zn6 cuboctahedra, and faces with three equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (2.63 Å) and three longer (2.81 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to six equivalent Zr and six equivalent Zn atoms to form ZnZr6Zn6 cuboctahedra that share corners with six equivalent ZnZr6Zn6 cuboctahedra, edges with six equivalent NZr6 octahedra, and faces with fourteen ZnZr6Zn6 cuboctahedra. N is bonded to six equivalent Zr atoms to form NZr6 octahedra that share corners with six equivalent ZnZr6Zn6 cuboctahedra, corners with six equivalent NZr6 octahedra, edges with six equivalent ZnZr6Zn6 cuboctahedra, and faces with six equivalent ZnZr6Zn6 cuboctahedra. The corner-sharing octahedral tilt angles are 38°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KZn13 by Materials Project

KZn13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to twenty-four equivalent Zn atoms. All K–Zn bond lengths are 3.60 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent K and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.96 Å. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Rh by Materials Project

RhZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded to twelve Zn atoms to form RhZn12 cuboctahedra that share corners with four equivalent RhZn12 cuboctahedra, edges with eight equivalent RhZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Rh4 cuboctahedra, faces with four equivalent RhZn12 cuboctahedra, and faces with eight equivalent ZnZn8Rh4 cuboctahedra. There are four shorter (2.63 Å) and eight longer (2.76 Å) Rh–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Rh and eight Zn atoms to form distorted ZnZn8Rh4 cuboctahedra that share corners with twelve equivalent ZnZn8Rh4 cuboctahedra, edges with eight equivalent RhZn12 cuboctahedra, edges with eight equivalent ZnZn8Rh4 cuboctahedra, faces with four equivalent RhZn12 cuboctahedra, and faces with ten equivalent ZnZn8Rh4 cuboctahedra. There are four shorter (2.63 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Rh and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Pt by Materials Project

PtZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve Zn atoms to form PtZn12 cuboctahedra that share corners with four equivalent PtZn12 cuboctahedra, edges with eight equivalent PtZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Pt4 cuboctahedra, faces with four equivalent PtZn12 cuboctahedra, and faces with eight equivalent ZnZn8Pt4 cuboctahedra. There are four shorter (2.68 Å) and eight longer (2.78 Å) Pt–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pt and eight Zn atoms to form distorted ZnZn8Pt4 cuboctahedra that share corners with twelve equivalent ZnZn8Pt4 cuboctahedra, edges with eight equivalent PtZn12 cuboctahedra, edges with eight equivalent ZnZn8Pt4 cuboctahedra, faces with four equivalent PtZn12 cuboctahedra, and faces with ten equivalent ZnZn8Pt4 cuboctahedra. There are four shorter (2.68 Å) and four longer (2.78 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Pt and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Pd by Materials Project

PdZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Zn atoms to form PdZn12 cuboctahedra that share corners with four equivalent PdZn12 cuboctahedra, edges with eight equivalent PdZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Pd4 cuboctahedra, faces with four equivalent PdZn12 cuboctahedra, and faces with eight equivalent ZnZn8Pd4 cuboctahedra. There are four shorter (2.66 Å) and eight longer (2.79 Å) Pd–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pd and eight Zn atoms to form distorted ZnZn8Pd4 cuboctahedra that share corners with twelve equivalent ZnZn8Pd4 cuboctahedra, edges with eight equivalent PdZn12 cuboctahedra, edges with eight equivalent ZnZn8Pd4 cuboctahedra, faces with four equivalent PdZn12 cuboctahedra, and faces with ten equivalent ZnZn8Pd4 cuboctahedra. There are four shorter (2.66 Å) and four longer (2.79 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Pd and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiZn3 by Materials Project

LiZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to fourteen Zn atoms. There are eight shorter (2.66 Å) and six longer (3.07 Å) Li–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Li and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnLi4Zn4 tetrahedra. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaZn13 by Materials Project

NaZn13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Na is bonded in a 1-coordinate geometry to twenty-four equivalent Zn atoms. All Na–Zn bond lengths are 3.57 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Na and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.95 Å. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Ni by Materials Project

NiZn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ni is bonded to twelve Zn atoms to form NiZn12 cuboctahedra that share corners with four equivalent NiZn12 cuboctahedra, corners with eight equivalent ZnZn8Ni4 cuboctahedra, edges with eight equivalent NiZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with fourteen ZnZn8Ni4 cuboctahedra. There are four shorter (2.59 Å) and eight longer (2.69 Å) Ni–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ni and eight Zn atoms to form ZnZn8Ni4 cuboctahedra that share corners with twelve equivalent ZnZn8Ni4 cuboctahedra, edges with eight equivalent NiZn12 cuboctahedra, edges with sixteen ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with fourteen ZnZn8Ni4 cuboctahedra. There are four shorter (2.59 Å) and four longer (2.69 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Ni and eight equivalent Zn atoms to form distorted ZnZn8Ni4 cuboctahedra that share corners with four equivalent ZnZn8Ni4 cuboctahedra, corners with eight equivalent NiZn12 cuboctahedra, edges with twenty-four ZnZn8Ni4 cuboctahedra, faces with six equivalent NiZn12 cuboctahedra, and faces with twelve ZnZn8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Co by Materials Project

Zn3Co is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co is bonded to twelve Zn atoms to form CoZn12 cuboctahedra that share corners with four equivalent CoZn12 cuboctahedra, corners with eight equivalent ZnZn8Co4 cuboctahedra, edges with eight equivalent CoZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Co4 cuboctahedra, faces with four equivalent CoZn12 cuboctahedra, and faces with fourteen ZnZn8Co4 cuboctahedra. There are four shorter (2.57 Å) and eight longer (2.69 Å) Co–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Co and eight Zn atoms to form ZnZn8Co4 cuboctahedra that share corners with twelve equivalent ZnZn8Co4 cuboctahedra, edges with eight equivalent CoZn12 cuboctahedra, edges with sixteen ZnZn8Co4 cuboctahedra, faces with four equivalent CoZn12 cuboctahedra, and faces with fourteen ZnZn8Co4 cuboctahedra. There are four shorter (2.57 Å) and four longer (2.69 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Co and eight equivalent Zn atoms to form distorted ZnZn8Co4 cuboctahedra that share corners with four equivalent ZnZn8Co4 cuboctahedra, corners with eight equivalent CoZn12 cuboctahedra, edges with twenty-four ZnZn8Co4 cuboctahedra, faces with six equivalent CoZn12 cuboctahedra, and faces with twelve ZnZn8Co4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Os by Materials Project

OsZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os is bonded to twelve Zn atoms to form OsZn12 cuboctahedra that share corners with four equivalent OsZn12 cuboctahedra, edges with eight equivalent OsZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Os4 cuboctahedra, faces with four equivalent OsZn12 cuboctahedra, and faces with eight equivalent ZnZn8Os4 cuboctahedra. There are four shorter (2.61 Å) and eight longer (2.78 Å) Os–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Os and eight Zn atoms to form distorted ZnZn8Os4 cuboctahedra that share corners with twelve equivalent ZnZn8Os4 cuboctahedra, edges with eight equivalent OsZn12 cuboctahedra, edges with eight equivalent ZnZn8Os4 cuboctahedra, faces with four equivalent OsZn12 cuboctahedra, and faces with ten equivalent ZnZn8Os4 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.78 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a square co-planar geometry to four equivalent Os and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScZn3 by Materials Project

ScZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to fourteen Zn atoms. There are eight shorter (2.77 Å) and six longer (3.19 Å) Sc–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Zn atoms. All Zn–Zn bond lengths are 2.77 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Cd by Materials Project

CdZn3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cd is bonded to twelve Zn atoms to form CdZn12 cuboctahedra that share corners with four equivalent CdZn12 cuboctahedra, corners with eight equivalent ZnZn8Cd4 cuboctahedra, edges with eight equivalent CdZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Cd4 cuboctahedra, faces with four equivalent CdZn12 cuboctahedra, and faces with fourteen ZnZn8Cd4 cuboctahedra. There are four shorter (2.88 Å) and eight longer (2.91 Å) Cd–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Cd and eight Zn atoms to form ZnZn8Cd4 cuboctahedra that share corners with twelve equivalent ZnZn8Cd4 cuboctahedra, edges with eight equivalent CdZn12 cuboctahedra, edges with sixteen ZnZn8Cd4 cuboctahedra, faces with four equivalent CdZn12 cuboctahedra, and faces with fourteen ZnZn8Cd4 cuboctahedra. There are four shorter (2.88 Å) and four longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Cd and eight equivalent Zn atoms to form ZnZn8Cd4 cuboctahedra that share corners with four equivalent ZnZn8Cd4 cuboctahedra, corners with eight equivalent CdZn12 cuboctahedra, edges with twenty-four ZnZn8Cd4 cuboctahedra, faces with six equivalent CdZn12 cuboctahedra, and faces with twelve ZnZn8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Fe2O7 by Materials Project

Fe2Zn3O7 is Hausmannite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with five equivalent FeO6 octahedra and corners with four equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–43°. There are a spread of Fe–O bond distances ranging from 1.91–2.07 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent FeO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 65–83°. There are a spread of Zn–O bond distances ranging from 2.03–2.10 Å. In the second Zn site, Zn is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 2.01–2.57 Å. There are four inequivalent O sites. In the first O site, O is bonded to one Fe and three equivalent Zn atoms to form OZn3Fe tetrahedra that share corners with eight OZn3Fe tetrahedra and edges with two equivalent OZn2Fe2 tetrahedra. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Fe and two equivalent Zn atoms. In the third O site, O is bonded to two equivalent Fe and two Zn atoms to form distorted OZn2Fe2 tetrahedra that share corners with eight OZn2Fe2 tetrahedra and edges with two equivalent OZn3Fe tetrahedra. In the fourth O site, O is bonded to two equivalent Fe and two equivalent Zn atoms to form corner-sharing OZn2Fe2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnSbO3 by Materials Project

ZnSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with eight SbO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 63–79°. There are three shorter (2.03 Å) and one longer (2.14 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded to four O atoms to form distorted ZnO4 tetrahedra that share corners with eight SbO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 60–81°. There are a spread of Zn–O bond distances ranging from 2.03–2.19 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and corners with eight ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–53°. There are a spread of Sb–O bond distances ranging from 2.25–2.29 Å. In the second Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and corners with eight ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of Sb–O bond distances ranging from 1.98–2.22 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Zn and two Sb atoms. In the second O site, O is bonded in a trigonal planar geometry to one Zn and two Sb atoms. In the third O site, O is bonded to two Zn and two equivalent Sb atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the fourth O site, O is bonded to two Zn and two equivalent Sb atoms to form distorted corner-sharing OZn2Sb2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf6Zn6N by Materials Project

Hf6Zn6N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a single-bond geometry to six Zn and one N atom. There are two shorter (2.85 Å) and four longer (3.07 Å) Hf–Zn bond lengths. The Hf–N bond length is 2.27 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to six equivalent Hf and six Zn atoms. There are three shorter (2.59 Å) and three longer (2.79 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to six equivalent Hf and six equivalent Zn atoms to form ZnHf6Zn6 cuboctahedra that share corners with six equivalent NHf6 octahedra and faces with six equivalent ZnHf6Zn6 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. N is bonded to six equivalent Hf atoms to form NHf6 octahedra that share corners with twelve equivalent ZnHf6Zn6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Zn by Materials Project

Mg5Zn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with twelve MgMg9Zn3 cuboctahedra, and faces with seventeen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.17 Å. Both Mg–Zn bond lengths are 3.01 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.16 Å. There are two shorter (3.07 Å) and one longer (3.16 Å) Mg–Zn bond lengths. In the third Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.24 Å. Both Mg–Zn bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded to eleven Mg and one Zn atom to form a mixture of distorted face, edge, and corner-sharing MgMg11Zn cuboctahedra. There are two shorter (3.11 Å) and two longer (3.16 Å) Mg–Mg bond lengths. The Mg–Zn bond length is 3.02 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg10Zn2 cuboctahedra. Both Mg–Mg bond lengths are 3.16 Å. Both Mg–Zn bond lengths are 3.09 Å. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2Zn11(MoO4)12 by Materials Project

Na2Zn11(MoO4)12 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.89 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.39 Å. There are twelve inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three ZnO6 octahedra and corners with two ZnO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 17–52°. There are a spread of Mo–O bond distances ranging from 1.77–1.85 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three ZnO6 octahedra and a cornercorner with one ZnO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 16–53°. There are a spread of Mo–O bond distances ranging from 1.74–1.89 Å. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three ZnO6 octahedra and corners with two ZnO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 16–51°. There are a spread of Mo–O bond distances ranging from 1.76–1.84 Å. In the fourth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three ZnO6 octahedra and a cornercorner with one ZnO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 14–41°. There are a spread of Mo–O bond distances ranging from 1.77–1.83 Å. In the fifth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four ZnO6 octahedra and a cornercorner with one ZnO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 17–65°. There are a spread of Mo–O bond distances ranging from 1.77–1.84 Å. In the sixth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four ZnO6 octahedra and a cornercorner with one ZnO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 15–60°. There are a spread of Mo–O bond distances ranging from 1.77–1.87 Å. In the seventh Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four ZnO6 octahedra and corners with two ZnO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 17–64°. There are a spread of Mo–O bond distances ranging from 1.76–1.84 Å. In the eighth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four ZnO6 octahedra and corners with two ZnO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 16–63°. There are a spread of Mo–O bond distances ranging from 1.76–1.85 Å. In the ninth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with five ZnO6 octahedra and a cornercorner with one ZnO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 39–61°. There are a spread of Mo–O bond distances ranging from 1.73–1.85 Å. In the tenth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with five ZnO6 octahedra and a cornercorner with one ZnO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–61°. There are a spread of Mo–O bond distances ranging from 1.73–1.85 Å. In the eleventh Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with five ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are a spread of Mo–O bond distances ranging from 1.74–1.87 Å. In the twelfth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with five ZnO6 octahedra and a cornercorner with one ZnO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–62°. There are a spread of Mo–O bond distances ranging from 1.73–1.84 Å. There are eleven inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six MoO4 tetrahedra and an edgeedge with one ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.00–2.27 Å. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six MoO4 tetrahedra, an edgeedge with one ZnO6 octahedra, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 1.99–2.24 Å. In the third Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six MoO4 tetrahedra, an edgeedge with one ZnO6 octahedra, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.06–2.29 Å. In the fourth Zn2+ site, Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share corners with six MoO4 tetrahedra, an edgeedge with one ZnO6 octahedra, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.01–2.34 Å. In the fifth Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six MoO4 tetrahedra, an edgeedge with one ZnO6 octahedra, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.03–2.29 Å. In the sixth Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six MoO4 tetrahedra, an edgeedge with one ZnO6 octahedra, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.02–2.28 Å. In the seventh Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six MoO4 tetrahedra and an edgeedge with one ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.03–2.19 Å. In the eighth Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six MoO4 tetrahedra, an edgeedge with one ZnO6 octahedra, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.03–2.25 Å. In the ninth Zn2+ site, Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with five MoO4 tetrahedra and edges with two ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.00–2.13 Å. In the tenth Zn2+ site, Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with five MoO4 tetrahedra and edges with two ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.96–2.22 Å. In the eleventh Zn2+ site, Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with five MoO4 tetrahedra and edges with two ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.98–2.16 Å. There are forty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the seventeenth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Zn2+ atom. In the eighteenth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Zn2+ atom. In the nineteenth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Zn2+ atom. In the twentieth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Zn2+ atom. In the twenty-first O2- site, O2- is bonded in a trigonal planar geometry to one Na1+, one Mo6+, and one Zn2+ atom. In the twenty-second O2- site, O2- is bonded in a trigonal planar geometry to one Na1+, one Mo6+, and one Zn2+ atom. In the twenty-third O2- site, O2- is bonded in a trigonal planar geometry to one Na1+, one Mo6+, and one Zn2+ atom. In the twenty-fourth O2- site, O2- is bonded in a trigonal planar geometry to one Na1+, one Mo6+, and one Zn2+ atom. In the twenty-fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the twenty-sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the twenty-seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the twenty-eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Zn2+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the thirtieth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the thirty-first O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two Zn2+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the thirty-third O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Zn2+ atom. In the thirty-fourth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Zn2+ atom. In the thirty-fifth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Zn2+ atom. In the thirty-sixth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Zn2+ atom. In the thirty-seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the thirty-eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the thirty-ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the fortieth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the forty-first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the forty-second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one Zn2+ atom. In the forty-third O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two Zn2+ atoms. In the forty-fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Zn2+ atoms. In the forty-fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one Mo6+ atom. In the forty-sixth O2- site, O2- is bonded in a bent 150 degrees g

36 MATERIALS SCIENCE↗