Materials Data on CaZn2(PO)2 by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279483· OSTI ID:1279483

The Materials Project

CaZn2(PO)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CaZn2(PO)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent P1- atoms to form edge-sharing CaP6 octahedra. All Ca–P bond lengths are 3.12 Å. Zn2+ is bonded in a distorted single-bond geometry to one O2- atom. The Zn–O bond length is 1.93 Å. P1- is bonded in a single-bond geometry to three equivalent Ca2+ and one O2- atom. The P–O bond length is 1.55 Å. O2- is bonded in a linear geometry to one Zn2+ and one P1- atom.

• 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: 1279483
• Report Number(s): mp-634817
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CaZn2(PO)2
Ca-O-P-Zn