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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Co(AsO2)2 by Materials Project

Co(AsO2)2 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are four shorter (2.07 Å) and two longer (2.19 Å) Co–O bond lengths. As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.76 Å) and two longer (1.89 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one As3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Co2+ and two equivalent As3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Te(AsO2)2 by Materials Project

Te(AsO2)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Te(AsO2)2 sheet oriented in the (1, -1, 0) direction. there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.78 Å) and one longer (1.82 Å) As–O bond length. In the second As5+ site, As5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.77 Å) and one longer (1.81 Å) As–O bond length. Te2- is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.09–2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one Te2- atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one Te2- atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one Te2- atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one Te2- atom.

36 MATERIALS SCIENCE↗