Materials Data on CuH12N2(Cl2O)2 by Materials Project
CuH4(OCl2)2(NH4)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional and consists of four ammonium molecules and one CuH4(OCl2)2 framework. In the CuH4(OCl2)2 framework, Cu2+ is bonded in a distorted square co-planar geometry to two equivalent O2- and four Cl1- atoms. Both Cu–O bond lengths are 1.99 Å. There are two shorter (2.28 Å) and two longer (3.06 Å) Cu–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.08 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Cu2+ and two equivalent H1+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1287364
- Report Number(s):
- mp-721415
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Rb2CuH4(Cl2O)2 by Materials Project
Materials Data on K2CuH4(Cl2O)2 by Materials Project
Materials Data on KCu2H20N3(Cl2O)4 by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1200142
Materials Data on K2CuH4(Cl2O)2 by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1284994
Materials Data on KCu2H20N3(Cl2O)4 by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1208030