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SbO2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three SbO2 sheets oriented in the (0, 0, 1) direction. Sb is bonded to six equivalent O atoms to form distorted edge-sharing SbO6 octahedra. All Sb–O bond lengths are 2.19 Å. O is bonded in a trigonal non-coplanar geometry to three equivalent Sb atoms.
SbO2 is Fluorite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a body-centered cubic geometry to eight O atoms. There are six shorter (2.17 Å) and two longer (2.29 Å) Sb–O bond lengths. In the second Sb site, Sb is bonded in a body-centered cubic geometry to eight O atoms. There are two shorter (2.29 Å) and six longer (2.43 Å) Sb–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded to four equivalent Sb atoms to form a mixture of edge and corner-sharing OSb4 tetrahedra. In the second O site, O is bonded to four equivalent Sb atoms to form a mixture of edge and corner-sharing OSb4 tetrahedra. In the third O site, O is bonded to four Sb atoms to form a mixture of edge and corner-sharing OSb4 tetrahedra.
SbO2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sb is bonded in a 3-coordinate geometry to six O atoms. There are three shorter (2.02 Å) and three longer (2.62 Å) Sb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to six equivalent Sb atoms to form edge-sharing OSb6 octahedra. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent Sb atoms.
SbO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Sb–O bond distances ranging from 2.07–2.60 Å. In the second Sb site, Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are a spread of Sb–O bond distances ranging from 1.98–2.05 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the second O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent Sb atoms.
Zn(SbO2)2 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are four shorter (2.10 Å) and two longer (2.22 Å) Zn–O bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (1.97 Å) and two longer (2.03 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Sb3+ atom.
SbO2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Sb–O bond distances ranging from 2.07–2.71 Å. In the second Sb site, Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Sb–O bond distances ranging from 1.99–2.04 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the second O site, O is bonded in a 2-coordinate geometry to three Sb atoms.
SbO2 is Cyanogen Chloride-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two antimony;dihydrate molecules. Sb is bonded in a linear geometry to two equivalent O atoms. Both Sb–O bond lengths are 1.87 Å. O is bonded in a single-bond geometry to one Sb atom.
SbO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Sb sites. In the first Sb site, Sb is bonded to five O atoms to form edge-sharing SbO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.93–2.04 Å. In the second Sb site, Sb is bonded in a tetrahedral geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 1.89–1.94 Å. In the third Sb site, Sb is bonded in a tetrahedral geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 1.89–1.93 Å. In the fourth Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There is two shorter (1.97 Å) and one longer (1.99 Å) Sb–O bond length. In the fifth Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There is two shorter (1.97 Å) and one longer (1.98 Å) Sb–O bond length. In the sixth Sb site, Sb is bonded to five O atoms to form edge-sharing SbO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.94–2.04 Å. In the seventh Sb site, Sb is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.27 Å. In the eighth Sb site, Sb is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.26 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a linear geometry to two Sb atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two Sb atoms. In the third O site, O is bonded in a distorted linear geometry to two Sb atoms. In the fourth O site, O is bonded in a water-like geometry to two Sb atoms. In the fifth O site, O is bonded in a water-like geometry to two Sb atoms. In the sixth O site, O is bonded in a linear geometry to two Sb atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms.
SbO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are two shorter (1.99 Å) and four longer (2.07 Å) Sb–O bond lengths. In the second Sb site, Sb is bonded to six O atoms to form distorted edge-sharing SbO6 octahedra. There are four shorter (2.34 Å) and two longer (2.40 Å) Sb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms.
SbO2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sb is bonded to six equivalent O atoms to form edge-sharing SbO6 octahedra. All Sb–O bond lengths are 2.19 Å. O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sb atoms.
MnSb2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are four shorter (2.17 Å) and two longer (2.26 Å) Mn–O bond lengths. Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.96 Å) and two longer (2.04 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mn2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn2+ and one Sb3+ atom.
FeSb2O4 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Fe2+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share corners with two equivalent SbO5 square pyramids, edges with two equivalent FeO6 octahedra, and edges with two equivalent SbO5 square pyramids. There are a spread of Fe–O bond distances ranging from 2.08–2.31 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five O2- atoms to form distorted SbO5 square pyramids that share corners with two equivalent FeO6 octahedra, corners with four equivalent SbO5 square pyramids, and edges with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Sb–O bond distances ranging from 1.94–2.70 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.72 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe2+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe2+ and two Sb3+ atoms. In the third O2- site, O2- is bonded to one Fe2+ and three Sb3+ atoms to form a mixture of distorted edge and corner-sharing OFeSb3 tetrahedra.
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
CaSb2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted CaO5 trigonal bipyramids that share corners with three CaO6 octahedra and a cornercorner with one SbO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–74°. There are a spread of Ca–O bond distances ranging from 2.35–2.76 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.74 Å. In the third Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share corners with two equivalent CaO5 trigonal bipyramids and edges with two equivalent SbO5 square pyramids. There are a spread of Ca–O bond distances ranging from 2.33–2.47 Å. In the fourth Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted edge-sharing CaO6 pentagonal pyramids. There are a spread of Ca–O bond distances ranging from 2.33–2.47 Å. In the fifth Ca2+ site, Ca2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ca–O bond distances ranging from 2.23–2.26 Å. In the sixth Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share a cornercorner with one CaO5 trigonal bipyramid and an edgeedge with one CaO6 pentagonal pyramid. There are a spread of Ca–O bond distances ranging from 2.34–2.51 Å. There are twelve inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.03–2.40 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.06 Å. In the third Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.68 Å. In the fourth Sb3+ site, Sb3+ is bonded to five O2- atoms to form distorted SbO5 square pyramids that share a cornercorner with one CaO5 trigonal bipyramid and edges with two equivalent CaO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.97–2.54 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.93–2.03 Å. In the sixth Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.06 Å. In the seventh Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.92–2.03 Å. In the eighth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.02 Å) and two longer (2.07 Å) Sb–O bond lengths. In the ninth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.07 Å. In the tenth Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.26 Å. In the eleventh Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.93 Å) and two longer (2.03 Å) Sb–O bond length. In the twelfth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.14 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ca2+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Ca2+ and two Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ca2+ and one Sb3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two Sb3+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+ and two Sb3+ atoms. In the ninth O2- site, O2- is bonded in a distorted T-shaped geometry to two Ca2+ and one Sb3+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two Sb3+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two Sb3+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two Sb3+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+ and one Sb3+ atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two Sb3+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ca2+ and one Sb3+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Ca2+ and two Sb3+ atoms. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to two Ca2+ and one Sb3+ atom. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two Sb3+ atoms. In the nineteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ca2+ and two Sb3+ atoms. In the twentieth O2- site, O2- is bonded in a distorted T-shaped geometry to two Ca2+ and one Sb3+ atom. In the twenty-first O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and two Sb3+ atoms. In the twenty-second O2- site, O2- is bonded in a trigonal planar geometry to one Ca2+ and two Sb3+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two Sb3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two Sb3+ atoms.