Materials Data on InPbCl3 by Materials Project
InPbCl3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one InPbCl3 sheet oriented in the (0, 0, 1) direction. In1+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. There are one shorter (3.12 Å) and one longer (3.13 Å) In–Cl bond lengths. Pb2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.92 Å) and four longer (2.93 Å) Pb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent In1+ and two equivalent Pb2+ atoms to form distorted corner-sharing ClIn2Pb2 tetrahedra. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Pb2+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1317340
- Report Number(s):
- mp-998512
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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