10.17188/1204435
None Available
Materials Data on Cr3GaN by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
Cr3GaN
Cr-Ga-N
The Materials Project
2020
en
Cr3GaN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Ga and two equivalent N atoms. All Cr–Ga bond lengths are 2.71 Å. Both Cr–N bond lengths are 1.91 Å. Ga is bonded to twelve equivalent Cr atoms to form GaCr12 cuboctahedra that share corners with twelve equivalent GaCr12 cuboctahedra, faces with six equivalent GaCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent GaCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.