Materials Data on SbO2 by Materials Project

Abstract

SbO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Sb sites. In the first Sb site, Sb is bonded to five O atoms to form distorted SbO5 square pyramids that share a cornercorner with one SbO6 octahedra, a cornercorner with one SbO4 trigonal pyramid, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedral tilt angles are 74°. There are a spread of Sb–O bond distances ranging from 2.00–2.56 Å. In the second Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share a cornercorner with one SbO5 square pyramid, corners with three equivalent SbO4 trigonal pyramids, and edges with two SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.19 Å. In the third 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 1.99–2.61 Å. In the fourth Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There are two shorter (1.99 Å) and one longer (2.11 Å) Sb–O bond lengths. In the fifth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share a cornercorner with one SbO4 trigonal pyramid and edges with three SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.13 Å. In the sixth Sb site, Sb is bonded to four O atoms to form SbO4 trigonal pyramids that share corners with five SbO6 octahedra and a cornercorner with one SbO5 square pyramid. The corner-sharing octahedra tilt angles range from 26–55°. There are a spread of Sb–O bond distances ranging from 2.11–2.15 Å. In the seventh Sb site, Sb is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (1.99 Å) and one longer (2.12 Å) Sb–O bond lengths. In the eighth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share a cornercorner with one SbO4 trigonal pyramid and edges with three SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.13 Å. In the ninth Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.99–2.15 Å. In the tenth Sb site, Sb is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are two shorter (2.01 Å) and one longer (2.17 Å) Sb–O bond lengths. In the eleventh Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.99–2.15 Å. In the twelfth Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.98–2.17 Å. In the thirteenth Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.98–2.16 Å. In the fourteenth Sb site, Sb is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are two shorter (1.99 Å) and one longer (2.16 Å) Sb–O bond lengths. In the fifteenth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share edges with two SbO6 octahedra and an edgeedge with one SbO5 square pyramid. There are a spread of Sb–O bond distances ranging from 2.02–2.08 Å. In the sixteenth 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 1.91–2.68 Å. There are thirty-two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the second O site, O is bonded in a water-like geometry to two Sb atoms. In the third O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the sixth O site, O is bonded in a water-like geometry to two Sb atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms. In the eighth O site, O is bonded in a trigonal planar geometry to three Sb atoms. In the ninth O site, O is bonded in a water-like geometry to two Sb atoms. In the tenth O site, O is bonded in a 1-coordinate geometry to three Sb atoms. In the eleventh O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the twelfth O site, O is bonded in a distorted trigonal non-coplanar geometry to three 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 water-like 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 distorted trigonal planar geometry to three Sb atoms. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the eighteenth O site, O is bonded in a trigonal planar geometry to three Sb atoms. In the nineteenth O site, O is bonded in a water-like geometry to two Sb atoms. In the twentieth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the twenty-first O site, O is bonded in a water-like geometry to two Sb atoms. In the twenty-second O site, O is bonded in a distorted bent 120 degrees geometry to two Sb atoms. In the twenty-third O site, O is bonded in a distorted bent 120 degrees geometry to two Sb atoms. In the twenty-fourth O site, O is bonded in a water-like geometry to two Sb atoms. In the twenty-fifth O site, O is bonded in a distorted bent 120 degrees geometry to two Sb atoms. In the twenty-sixth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the twenty-seventh O site, O is bonded in an L-shaped geometry to two Sb atoms. In the twenty-eighth O site, O is bonded in a distorted bent 120 degrees geometry to two Sb atoms. In the twenty-ninth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms. In the thirtieth O site, O is bonded in a distorted water-like geometry to three Sb atoms. In the thirty-first O site, O is bonded in a trigonal planar geometry to three Sb atoms. In the thirty-second O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms.