Structure 3000312

3000311 << 3000312 >> 3000313
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 O10 Sm

Cell parameters:

  • a = 8.1267(6) Å
  • b = 16.0711(16) Å
  • c = 3.5862(3) Å
  • α = 90°
  • β = 101.315(7)°
  • 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 Ca10 O20 Sm10 (B3 Ca5 O10 Sm5)

Multiplicity: 1

Coordination sequences:

  • 1, 12, 54, 145, 242, 438, 631, 882, 1198, 1560
  • 1, 13, 49, 136, 253, 436, 639, 920, 1157, 1560
  • 1, 14, 63, 135, 275, 446, 653, 898, 1237, 1497
  • 3, 8, 64, 173, 306, 503, 714, 1015, 1292, 1681
  • 3, 21, 74, 193, 300, 511, 766, 962, 1382, 1696
  • 4, 29, 83, 186, 343, 528, 780, 1026, 1365, 1707
  • 4, 31, 90, 188, 349, 536, 788, 1022, 1381, 1710
  • 4, 34, 105, 215, 370, 577, 827, 1098, 1436, 1797
  • 4, 35, 97, 199, 358, 551, 745, 1091, 1356, 1713
  • 4, 36, 107, 236, 365, 603, 837, 1122, 1454, 1869
  • 5, 24, 86, 199, 338, 535, 779, 1084, 1324, 1771
  • 13, 54, 145, 242, 438, 631, 882, 1198, 1560, 1830
  • 14, 49, 136, 253, 436, 639, 920, 1157, 1560, 1914
  • 15, 63, 135, 275, 446, 653, 898, 1237, 1497, 1947
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