Materials Data on MgCl2O by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1289502· OSTI ID:1289502

The Materials Project

MgOCl2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one MgOCl2 sheet oriented in the (0, 0, 1) direction. Mg is bonded to two equivalent O and two equivalent Cl atoms to form corner-sharing MgCl2O2 tetrahedra. Both Mg–O bond lengths are 2.00 Å. There are one shorter (2.37 Å) and one longer (2.38 Å) Mg–Cl bond lengths. O is bonded in a 3-coordinate geometry to two equivalent Mg and one Cl atom. The O–Cl bond length is 1.71 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent Mg 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: 1289502
• Report Number(s): mp-754645
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
MgCl2O
Cl-Mg-O