Structure 2002492

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Original COD entry Download CIF Download DOT

Citation: Rueter, I; Mueller-Buschbaum, Hk (1990). Zur Kristallchemie von Oxometallaten der Zusammensetzung Ba6 Nd2 Al4 O15: neue Ergebnisse an Ba4.5 Ca1.5 Nd2 Fe4 O5 und Ba5 Ca Sm2 Fe4 O15. Journal of the Less-Common Metals, 162, pp. 175-180.

Formula: Ba4.5 Ca1.5 Fe4 Nd2 O15

Chemical name: Barium calcium neodymium iron oxide (4.5/1.5/2/4/15)

Cell parameters:

  • a = 11.6244(6) Å
  • b = 11.6244(6) Å
  • c = 6.9205(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: Ba6 Ca6 Fe8 Nd6 O30 (Ba3 Ca3 Fe4 Nd3 O15)

Multiplicity: 1

Coordination sequences:

  • 1, 5, 25, 48, 82, 146, 198, 266, 434, 504
  • 2, 13, 31, 59, 111, 148, 226, 338, 414, 592
  • 3, 28, 52, 100, 142, 218, 312, 406, 576, 696
  • 4, 13, 35, 72, 127, 160, 274, 360, 450, 682
  • 4, 25, 47, 88, 138, 196, 295, 390, 527, 698
  • 4, 27, 55, 96, 152, 228, 284, 458, 574, 634
  • 6, 25, 48, 82, 146, 198, 266, 434, 504, 636
  • 9, 30, 69, 104, 180, 248, 306, 530, 582, 656
  • 15, 31, 59, 111, 148, 226, 338, 414, 592, 732
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