Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “K-Mo-O”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2MoO4 by Materials Project

K2MoO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.29 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.30 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. All Mo–O bond lengths are 1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K(MoO2)4 by Materials Project

K(MoO2)4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 3.08–3.25 Å. In the second K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 3.03–3.27 Å. There are four inequivalent Mo+3.75+ sites. In the first Mo+3.75+ site, Mo+3.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Mo–O bond distances ranging from 2.12–2.18 Å. In the second Mo+3.75+ site, Mo+3.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–53°. There are a spread of Mo–O bond distances ranging from 2.03–2.17 Å. In the third Mo+3.75+ site, Mo+3.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of Mo–O bond distances ranging from 1.99–2.16 Å. In the fourth Mo+3.75+ site, Mo+3.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Mo–O bond distances ranging from 1.97–2.16 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two K1+ and three Mo+3.75+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Mo+3.75+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and three Mo+3.75+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and three Mo+3.75+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mo+3.75+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mo+3.75+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mo+3.75+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two K1+ and three Mo+3.75+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K(MoO2)4 by Materials Project

K(MoO2)4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (3.01 Å) and four longer (3.16 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (3.08 Å) and four longer (3.12 Å) K–O bond lengths. There are two inequivalent Mo+3.75+ sites. In the first Mo+3.75+ site, Mo+3.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Mo–O bond distances ranging from 2.07–2.15 Å. In the second Mo+3.75+ site, Mo+3.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Mo–O bond distances ranging from 2.00–2.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two K1+ and three Mo+3.75+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Mo+3.75+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mo+3.75+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two K1+ and three Mo+3.75+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4MoO8 by Materials Project

K4MoO8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.60–3.04 Å. In the second K site, K is bonded in a 4-coordinate geometry to five O atoms. There are a spread of K–O bond distances ranging from 2.56–3.31 Å. In the third K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.73–3.28 Å. In the fourth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.72–3.31 Å. Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.10 Å. There are eight inequivalent O sites. In the first O site, O is bonded to three K and one O atom to form distorted corner-sharing OK3O trigonal pyramids. The O–O bond length is 1.48 Å. In the second O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the third O site, O is bonded in a 1-coordinate geometry to three K and one Mo atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K and two O atoms. The O–O bond length is 1.47 Å. In the fifth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. In the sixth O site, O is bonded in a 4-coordinate geometry to four K and one Mo atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two K, one Mo, and one O atom. The O–O bond length is 1.54 Å. In the eighth O site, O is bonded to five K, one Mo, and one O atom to form distorted OK5MoO pentagonal bipyramids that share corners with two equivalent OK5MoO pentagonal bipyramids and corners with three equivalent OK3O trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMoO3 by Materials Project

KMoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent MoO6 octahedra. All K–O bond lengths are 2.83 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.00 Å. O2- is bonded to four equivalent K1+ and two equivalent Mo5+ atoms to form a mixture of distorted face, edge, and corner-sharing OK4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Mo2O5 by Materials Project

K2Mo2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.60–3.08 Å. There are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent MoO6 octahedra and corners with two equivalent MoO4 tetrahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Mo–O bond distances ranging from 2.07–2.22 Å. In the second Mo4+ site, Mo4+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MoO6 octahedra and corners with two equivalent MoO4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Mo–O bond distances ranging from 1.91–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Mo4+ atoms to form distorted OK4Mo2 octahedra that share corners with two equivalent OK4Mo2 octahedra, corners with four equivalent OK2Mo2 tetrahedra, edges with two equivalent OK4Mo2 octahedra, and faces with four equivalent OK4Mo2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent K1+ and two Mo4+ atoms. In the third O2- site, O2- is bonded to two equivalent K1+ and two equivalent Mo4+ atoms to form distorted OK2Mo2 tetrahedra that share corners with eight equivalent OK4Mo2 octahedra and corners with two equivalent OK2Mo2 tetrahedra. The corner-sharing octahedra tilt angles range from 18–83°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4MoO5 by Materials Project

K4MoO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are twelve inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.57–2.83 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.60–2.85 Å. In the third K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 square pyramids that share a cornercorner with one MoO5 trigonal bipyramid and edges with two equivalent MoO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.64–2.83 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.14 Å. In the fifth K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with four MoO5 trigonal bipyramids and an edgeedge with one MoO5 trigonal bipyramid. There are a spread of K–O bond distances ranging from 2.62–3.14 Å. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.61–2.91 Å. In the seventh K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.05 Å. In the eighth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.07 Å. In the ninth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.27 Å. In the tenth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.15 Å. In the eleventh K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.96 Å. In the twelfth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.35 Å. There are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to five O2- atoms to form MoO5 trigonal bipyramids that share corners with two equivalent KO6 octahedra. The corner-sharing octahedra tilt angles range from 6–44°. There are a spread of Mo–O bond distances ranging from 1.85–1.96 Å. In the second Mo6+ site, Mo6+ is bonded to five O2- atoms to form MoO5 trigonal bipyramids that share a cornercorner with one KO6 octahedra and edges with two equivalent KO5 square pyramids. The corner-sharing octahedral tilt angles are 21°. There are a spread of Mo–O bond distances ranging from 1.86–1.96 Å. In the third Mo6+ site, Mo6+ is bonded to five O2- atoms to form MoO5 trigonal bipyramids that share a cornercorner with one KO6 octahedra, a cornercorner with one KO5 square pyramid, and an edgeedge with one KO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Mo–O bond distances ranging from 1.85–1.97 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. In the tenth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one Mo6+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to six K1+ and one Mo6+ atom. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMo5O13 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Mo2O7 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Mo2O15 by Materials Project

K2Mo2O15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to six O atoms to form distorted KO6 octahedra that share corners with two equivalent MoO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.69–2.96 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.63–3.33 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.01 Å. In the second Mo site, Mo is bonded to five O atoms to form distorted MoO5 trigonal bipyramids that share corners with two equivalent KO6 octahedra. The corner-sharing octahedra tilt angles range from 40–53°. There are a spread of Mo–O bond distances ranging from 1.75–2.12 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Mo and one O atom. The O–O bond length is 1.47 Å. In the second O site, O is bonded in a distorted water-like geometry to two equivalent K and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one K and one Mo atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one K and one Mo atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one O atom. In the ninth O site, O is bonded in a 3-coordinate geometry to one K, one Mo, and one O atom. In the tenth O site, O is bonded in a distorted T-shaped geometry to two K and one O atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one K and one Mo atom. In the twelfth O site, O is bonded in a bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.33 Å. In the thirteenth O site, O is bonded in a distorted trigonal planar geometry to one K, one Mo, and one O atom. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one Mo atom. In the fifteenth O site, O is bonded in a distorted water-like geometry to one Mo and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Mo8O13 by Materials Project

K2Mo8O13 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All K–O bond lengths are 3.15 Å. There are four inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mo–O bond distances ranging from 2.06–2.30 Å. In the second Mo3+ site, Mo3+ is bonded to five O2- atoms to form MoO5 square pyramids that share corners with two equivalent MoO6 octahedra and edges with two equivalent MoO5 square pyramids. The corner-sharing octahedral tilt angles are 53°. There are one shorter (2.06 Å) and four longer (2.16 Å) Mo–O bond lengths. In the third Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (2.10 Å) Mo–O bond lengths. In the fourth Mo3+ site, Mo3+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with two equivalent MoO5 square pyramids, and edges with seven MoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mo–O bond distances ranging from 2.06–2.37 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to six Mo3+ atoms to form edge-sharing OMo6 octahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Mo3+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Mo3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent K1+ and three Mo3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Mo3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K6Mo10O33 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Mo7O20 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K6Mo7O34 by Materials Project

K6Mo7O34 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.83–2.94 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.62–3.16 Å. In the third K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.67–3.23 Å. In the fourth K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.66–3.38 Å. There are four inequivalent Mo sites. In the first Mo site, Mo is bonded to seven O atoms to form distorted MoO7 pentagonal bipyramids that share a cornercorner with one OK2MoO tetrahedra. There are a spread of Mo–O bond distances ranging from 1.74–2.29 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.78–2.37 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.32 Å. In the fourth Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.33 Å. There are twenty inequivalent O sites. In the first O site, O is bonded to two K, one Mo, and one O atom to form distorted OK2MoO tetrahedra that share a cornercorner with one MoO7 pentagonal bipyramid, a cornercorner with one OK2MoO tetrahedra, and a cornercorner with one OMo4 trigonal pyramid. The O–O bond length is 1.39 Å. In the second O site, O is bonded in a 3-coordinate geometry to one K, one Mo, and one O atom. In the third O site, O is bonded in a water-like geometry to two Mo atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the fifth O site, O is bonded to four Mo atoms to form distorted OMo4 trigonal pyramids that share a cornercorner with one OK2MoO tetrahedra and a cornercorner with one OMo4 trigonal pyramid. In the sixth O site, O is bonded in a 3-coordinate geometry to one K and two Mo atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to one K and two Mo atoms. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Mo atoms. In the ninth O site, O is bonded in a distorted rectangular see-saw-like geometry to one K and three Mo atoms. In the tenth O site, O is bonded in a 1-coordinate geometry to two K and one Mo atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two equivalent Mo atoms. In the twelfth O site, O is bonded in a 1-coordinate geometry to two K and one Mo atom. In the thirteenth O site, O is bonded in a 1-coordinate geometry to two K and one Mo atom. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two equivalent Mo atoms. In the fifteenth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Mo atom. In the sixteenth O site, O is bonded in a distorted T-shaped geometry to three K atoms. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both O–O bond lengths are 1.31 Å. In the eighteenth O site, O is bonded in a bent 120 degrees geometry to two K atoms. In the nineteenth O site, O is bonded in an L-shaped geometry to two K atoms. In the twentieth O site, O is bonded in a 4-coordinate geometry to three K and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Mo3O10 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K(MoO3)3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3(Mo7O11)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K(Mo2O3)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗