Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project
Sr2Cu2Te(O3Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Br1- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.82 Å. There are a spread of Sr–Br bond distances ranging from 3.11–3.21 Å. Cu2+ is bonded in a 6-coordinate geometry to five O2- and one Br1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.43 Å. The Cu–Br bond length is 3.02 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.95–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+, two equivalent Cu2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded to one Sr2+, two equivalent Cu2+, and one Te6+ atom to form distorted corner-sharing OSrCu2Te trigonal pyramids. Br1- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and one Cu2+ atom.