Structure 7244951

7244950 << 7244951 >> 7244952
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 = 12.7504(5) Å
  • b = 9.5370(3) Å
  • c = 8.5317(3) 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: Ag32 B24 I4 O40 (Ag8 B6 I O10)

Multiplicity: 1

Coordination sequences:

  • 3, 8, 34, 61, 158, 246, 411, 585, 792, 1006
  • 3, 9, 18, 54, 91, 218, 320, 504, 718, 903
  • 3, 9, 33, 65, 151, 249, 410, 584, 763, 1022
  • 3, 15, 30, 87, 146, 276, 414, 580, 782, 1016
  • 3, 15, 33, 87, 154, 280, 425, 609, 794, 1047
  • 4, 9, 29, 62, 143, 237, 396, 565, 751, 989
  • 4, 11, 33, 67, 156, 245, 428, 577, 792, 1023
  • 4, 15, 35, 93, 166, 297, 430, 605, 832, 1039
  • 4, 17, 43, 104, 186, 317, 476, 636, 872, 1097
  • 5, 17, 46, 104, 187, 320, 469, 649, 884, 1096
  • 8, 28, 76, 154, 253, 402, 575, 759, 964, 1251
  • 10, 29, 83, 155, 270, 399, 573, 765, 1004, 1224
  • 11, 26, 80, 140, 258, 386, 561, 745, 984, 1198
  • 11, 31, 76, 158, 255, 430, 562, 784, 1005, 1245
  • 11, 32, 92, 169, 290, 415, 607, 772, 1025, 1252
  • 12, 29, 82, 156, 267, 399, 576, 762, 1004, 1227
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