Materials Data on GdCuAs2 by Materials Project
GdCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (2.97 Å) and four longer (3.07 Å) Gd–As bond lengths. Cu1+ is bonded to four equivalent As2- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.51 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent As2- atoms. All As–As bond lengths are 2.78 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent Cu1+ atoms.
- 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:
- 1195327
- Report Number(s):
- mp-20188
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on YCuAs2 by Materials Project
Materials Data on DyCuAs2 by Materials Project
Materials Data on ErCuAs2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1187502
Materials Data on DyCuAs2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1187503
Materials Data on ErCuAs2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1187504