Structure 3000311

3000310 << 3000311 >> 3000312
Original COD entry Download CIF Download DOT

Citation: M\"unchhalfen, Marie; Schreuer, J\"urgen; Reuther, Christoph; Mehner, Erik; St\"ocker, Hartmut (2021). Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La). Journal of Applied Physics, 130, pp. 095102-.

Formula: B3 Ca4 Nd O10

Cell parameters:

  • a = 8.11934(17) Å
  • b = 16.0430(4) Å
  • c = 3.59765(11) Å
  • α = 90°
  • β = 101.378(2)°
  • 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: B6 Ca6 Nd6 O20 (B3 Ca3 Nd3 O10)

Multiplicity: 1

Coordination sequences:

  • 1, 11, 36, 50, 70, 134, 270, 319, 354, 424
  • 1, 12, 40, 51, 71, 129, 258, 333, 350, 438
  • 2, 13, 38, 69, 105, 161, 278, 368, 457, 503
  • 2, 14, 39, 61, 103, 160, 273, 356, 415, 534
  • 3, 4, 32, 79, 102, 133, 230, 404, 452, 497
  • 3, 6, 46, 97, 110, 142, 239, 450, 503, 512
  • 3, 20, 46, 67, 109, 178, 313, 367, 434, 548
  • 3, 20, 47, 73, 121, 176, 307, 369, 453, 569
  • 3, 21, 54, 79, 115, 165, 301, 414, 484, 532
  • 4, 29, 43, 60, 83, 196, 325, 319, 387, 500
  • 12, 36, 50, 70, 134, 270, 319, 354, 424, 650
  • 13, 40, 51, 71, 129, 258, 333, 350, 438, 644
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