Structure 7128039

7128029 << 7128039 >> 7128040
Original COD entry Download CIF Download DOT

Citation: Zhang, Wenbin; Guo, Siru; Han, Shujuan; Wang, Liying; Zhou, Xin; Yang, Zhihua; Pan, Shilie (2021). BaB4O5F4 with reversible phase transition featuring unprecedented fundamental building blocks of [B16O21F16] in the \a-phase and [B4O6F4] in the \b-phase.. Chemical communications (Cambridge, England), 57, pp. 4182-4185.

Formula: B4 Ba F4 O5

Cell parameters:

  • a = 4.8350(2) Å
  • b = 18.9867(6) Å
  • c = 8.4861(3) Å
  • α = 90°
  • β = 122.835(2)°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;0.5)

Dimensionality: 1

Formula: B8 F8 O10 (B4 F4 O5)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;0.5)

Dimensionality: 1

Formula: B8 F8 O10 (B4 F4 O5)

span 1 {1 1 1}