Materials Data on Zr(InBr3)2 by Materials Project
Zr(InBr3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded in an octahedral geometry to six Br1- atoms. There are four shorter (2.65 Å) and two longer (2.66 Å) Zr–Br bond lengths. In the second Zr2+ site, Zr2+ is bonded in an octahedral geometry to six Br1- atoms. All Zr–Br bond lengths are 2.65 Å. There are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are three shorter (3.52 Å) and one longer (3.53 Å) In–Br bond lengths. In the second In2+ site, In2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of In–Br bond distances ranging from 3.51–3.54 Å. There are twelve inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ and two equivalent In2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ and two equivalent In2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ and two equivalent In2+ atoms. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ and two equivalent In2+ atoms. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ and two equivalent In2+ atoms. In the eighth Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ and two equivalent In2+ atoms. In the ninth Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ atom. In the tenth Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ and two equivalent In2+ atoms. In the eleventh Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ atom. In the twelfth Br1- site, Br1- is bonded in a single-bond geometry to one Zr2+ and two equivalent In2+ atoms.