Structure 2108554

2108553 << 2108554 >> 2108555
Original COD entry Download CIF Download DOT

Citation: Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander (2019). Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties. Acta Crystallographica Section B, 75, pp. -.

Formula: B Cs0.51 H4.9 Mn1.17 O10.45 P2

Chemical name: Caesium Diaquamanganese (II,III) Borodiphosphate Hydrate

Cell parameters:

  • a = 9.6292(3) Å
  • b = 9.6292(3) Å
  • c = 15.8051(5) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: B6 Cs24 H24 Mn18 O66 P12 (B Cs4 H4 Mn3 O11 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 21, 34, 75, 100, 216, 285, 396, 556
  • 2, 6, 7, 32, 49, 117, 144, 258, 319, 511
  • 2, 6, 7, 32, 50, 128, 154, 252, 332, 531
  • 2, 8, 17, 72, 87, 139, 195, 352, 467, 603
  • 2, 13, 28, 47, 98, 159, 264, 346, 502, 653
  • 3, 20, 35, 72, 100, 185, 263, 388, 534, 707
  • 4, 4, 12, 12, 64, 103, 195, 200, 334, 472
  • 4, 5, 28, 47, 102, 120, 214, 303, 483, 620
  • 5, 21, 34, 75, 100, 216, 285, 396, 556, 732
  • 6, 14, 54, 64, 125, 173, 312, 401, 558, 689
  • 8, 24, 38, 64, 107, 218, 331, 427, 550, 737
  • 13, 25, 43, 75, 157, 232, 337, 465, 613, 825
  • 14, 25, 40, 70, 111, 247, 355, 462, 561, 780
  • 14, 27, 41, 69, 116, 248, 373, 461, 566, 788
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