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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sb5IO7 by Materials Project

Sb5O7I crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.01 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (1.99 Å) and one longer (2.09 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.80 Å. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sb3+ atoms. I1- is bonded in a 12-coordinate geometry to six equivalent O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb4I2O5 by Materials Project

Sb4O5I2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent I1- atoms. There are a spread of Sb–O bond distances ranging from 2.02–2.09 Å. There are one shorter (3.26 Å) and one longer (3.56 Å) Sb–I bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- and two equivalent I1- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.51 Å. There are one shorter (3.50 Å) and one longer (3.56 Å) Sb–I bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Sb3+ atoms. I1- is bonded in a 8-coordinate geometry to four Sb3+ atoms.

36 MATERIALS SCIENCE↗