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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AgSbO3 by Materials Project

AgSbO3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ag1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Ag–O bond lengths are 2.59 Å. Sb5+ is bonded to six equivalent O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Sb–O bond lengths are 2.00 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgSbO3 by Materials Project

AgSbO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.42 Å) and three longer (2.74 Å) Ag–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form edge-sharing SbO6 octahedra. There are three shorter (2.02 Å) and three longer (2.04 Å) Sb–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgSbO3 by Materials Project

AgSbO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.50 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.53 Å. In the third Ag1+ site, Ag1+ is bonded in a single-bond geometry to one O2- atom. The Ag–O bond length is 2.28 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.45–2.97 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.62 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.91 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.48 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.39–2.78 Å. In the ninth Ag1+ site, Ag1+ is bonded in a distorted single-bond geometry to one O2- atom. The Ag–O bond length is 2.21 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.47 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.49 Å. In the twelfth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.51–2.72 Å. There are twelve inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Sb–O bond distances ranging from 1.98–2.06 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There are a spread of Sb–O bond distances ranging from 1.98–2.06 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of Sb–O bond distances ranging from 1.98–2.06 Å. In the fourth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There are a spread of Sb–O bond distances ranging from 1.98–2.05 Å. In the fifth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Sb–O bond distances ranging from 1.97–2.07 Å. In the sixth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Sb–O bond distances ranging from 1.99–2.06 Å. In the seventh Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Sb–O bond distances ranging from 1.96–2.08 Å. In the eighth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–57°. There are a spread of Sb–O bond distances ranging from 1.97–2.05 Å. In the ninth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Sb–O bond distances ranging from 2.00–2.03 Å. In the tenth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There are a spread of Sb–O bond distances ranging from 1.99–2.05 Å. In the eleventh Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 55–58°. There are a spread of Sb–O bond distances ranging from 1.96–2.05 Å. In the twelfth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of Sb–O bond distances ranging from 1.99–2.06 Å. There are thirty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Sb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+ and two Sb5+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the eleventh O2- site, O2- is bonded in a distorted water-like geometry to two Ag1+ and two Sb5+ atoms. In the twelfth O2- site, O2- is bonded in a distorted T-shaped geometry to one Ag1+ and two Sb5+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Sb5+ atoms. In the fifteenth O2- site, O2- is bonded to two Ag1+ and two Sb5+ atoms to form distorted corner-sharing OAg2Sb2 tetrahedra. In the sixteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Sb5+ atoms. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Sb5+ atoms. In the nineteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Ag1+ and two Sb5+ atoms. In the twentieth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb5+ atoms. In the twenty-first O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the twenty-third O2- site, O2- is bonded in a water-like geometry to two Sb5+ atoms. In the twenty-fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+ and two Sb5+ atoms. In the twenty-fifth O2- site, O2- is bonded in a distorted water-like geometry to one Ag1+ and two Sb5+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted water-like geometry to one Ag1+ and two Sb5+ atoms. In the twenty-seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Sb5+ atoms. In the twenty-eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Ag1+ and two Sb5+ atoms. In the twenty-ninth O2- site, O2- is bonded to two Ag1+ and two Sb5+ atoms to form distorted corner-sharing OAg2Sb2 tetrahedra. In the thirtieth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+ and two Sb5+ atoms. In the thirty-first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Sb5+ atoms. In the thirty-second O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+ and two Sb5+ atoms. In the thirty-third O2- site, O2- is bonded in a 2-coordinate geometry to two Ag1+ and two Sb5+ atoms. In the thirty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb5+ atoms. In the thirty-fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Ag1+ and two Sb5+ atoms. In the thirty-sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag7Sb9O25 by Materials Project

Ag7Sb9O25 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are five shorter (2.57 Å) and one longer (2.58 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are three shorter (2.57 Å) and three longer (2.58 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.56–2.61 Å. There are five inequivalent Sb+4.78+ sites. In the first Sb+4.78+ site, Sb+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.08 Å) and three longer (2.63 Å) Sb–O bond lengths. In the second Sb+4.78+ site, Sb+4.78+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are five shorter (2.00 Å) and one longer (2.01 Å) Sb–O bond lengths. In the third Sb+4.78+ site, Sb+4.78+ is bonded to seven O2- atoms to form SbO7 pentagonal bipyramids that share corners with two SbO6 octahedra, corners with two equivalent SbO7 pentagonal bipyramids, and edges with two equivalent SbO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–47°. There are a spread of Sb–O bond distances ranging from 2.00–2.28 Å. In the fourth Sb+4.78+ site, Sb+4.78+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent SbO6 octahedra and corners with three equivalent SbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. There are three shorter (2.00 Å) and three longer (2.02 Å) Sb–O bond lengths. In the fifth Sb+4.78+ site, Sb+4.78+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent SbO6 octahedra and corners with three equivalent SbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. There is three shorter (1.99 Å) and three longer (2.00 Å) Sb–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Sb+4.78+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and three Sb+4.78+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two Sb+4.78+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ag1+ and three Sb+4.78+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two Sb+4.78+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+ and two equivalent Sb+4.78+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two Sb+4.78+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+ and two equivalent Sb+4.78+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two Sb+4.78+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgSbO12 by Materials Project

AgSbO12 crystallizes in the tetragonal P4_2/n space group. The structure is two-dimensional and consists of two AgSbO12 sheets oriented in the (0, 0, 1) direction. Ag is bonded in a square co-planar geometry to four equivalent O atoms. All Ag–O bond lengths are 2.21 Å. Sb is bonded in a tetrahedral geometry to four equivalent O atoms. All Sb–O bond lengths are 1.92 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.25 Å) and one longer (1.89 Å) O–O bond length. In the second O site, O is bonded in a bent 120 degrees geometry to one Ag and one O atom. In the third O site, O is bonded in a distorted single-bond geometry to one Sb and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgSbO12 by Materials Project

AgSbO12 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ag is bonded in a distorted cuboctahedral geometry to twelve equivalent O atoms. All Ag–O bond lengths are 2.42 Å. Sb is bonded in a 12-coordinate geometry to twelve equivalent O atoms. All Sb–O bond lengths are 2.64 Å. O is bonded in a 6-coordinate geometry to one Ag, one Sb, and four equivalent O atoms. There is two shorter (1.92 Å) and two longer (1.96 Å) O–O bond length.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3SbO4 by Materials Project

Ag3SbO4 is Orthorhombic Perovskite-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.18 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.33 Å) and two longer (2.59 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.49–2.71 Å. Sb5+ is bonded to six O2- atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.00–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one Sb5+ atom.

36 MATERIALS SCIENCE↗