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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SbTeClO3 by Materials Project

SbTeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SbTeO3Cl sheets oriented in the (0, 0, 1) direction. Sb3+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There are two shorter (2.03 Å) and one longer (2.07 Å) Sb–O bond lengths. The Sb–Cl bond length is 2.99 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Cl1- atoms. There is one shorter (1.92 Å) and two longer (1.93 Å) Te–O bond length. Both Te–Cl bond lengths are 3.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one Te4+ atom. Cl1- is bonded in a 3-coordinate geometry to one Sb3+ and two equivalent Te4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb3TeClO6 by Materials Project

Sb3TeO6Cl crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two Sb3TeO6Cl sheets oriented in the (1, 0, 0) direction. there are three 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 1.96–2.21 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 1.99–2.18 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 2.02–2.17 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.17 Å. Both Te–Cl bond lengths are 3.29 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sb3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sb3+, two equivalent Te4+, and one Cl1- atom. The O–Cl bond length is 3.18 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. Cl1- is bonded in a 8-coordinate geometry to two equivalent Te4+ and one O2- atom.

36 MATERIALS SCIENCE↗