Structure 7244954

7244953 << 7244954 >> 7244955
Original COD entry Download CIF Download DOT

Citation: Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma (2022). Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide. CrystEngComm, , pp. -.

Formula: Ag3 B6 I O10

Cell parameters:

  • a = 12.7566(15) Å
  • b = 9.7050(12) Å
  • c = 8.4295(10) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: Ag12 B24 I4 O40 (Ag3 B6 I O10)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 9, 21, 24, 44, 62, 94, 131, 162
  • 3, 5, 16, 19, 31, 46, 80, 111, 137, 184
  • 3, 6, 21, 30, 47, 65, 80, 123, 145, 203
  • 3, 7, 13, 25, 27, 65, 74, 115, 134, 159
  • 3, 9, 11, 22, 29, 60, 77, 104, 155, 165
  • 3, 9, 12, 28, 38, 63, 87, 112, 164, 176
  • 3, 9, 14, 31, 46, 62, 90, 114, 165, 188
  • 3, 10, 13, 23, 29, 57, 85, 113, 149, 164
  • 3, 10, 16, 34, 42, 61, 97, 113, 151, 195
  • 4, 7, 16, 19, 38, 53, 77, 117, 144, 193
  • 4, 8, 17, 22, 47, 59, 87, 134, 138, 203
  • 5, 9, 17, 27, 44, 70, 89, 125, 142, 195
  • 6, 10, 20, 25, 42, 68, 97, 129, 153, 181
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