Structure 1548820

1548819 << 1548820 >> 1548821
Original COD entry Download CIF Download DOT

Citation: Zhao, Qing; Kulik, Heather J. (2018). Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.. Journal of chemical theory and computation, , pp. -.

Formula: Mo O2

Chemical name: Molybdenum(V) oxide

Cell parameters:

  • a = 4.8473(3) Å
  • b = 4.8473(3) Å
  • c = 2.8136(3) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: Mo2 O4 (Mo O2)

Multiplicity: 1

Coordination sequences:

  • 3, 18, 33, 78, 97, 180, 193, 318, 321, 500
  • 8, 18, 48, 66, 128, 146, 248, 258, 408, 402
span 1 {1 1 1}