Structure 4338678

4338677 << 4338678 >> 4338679
Original COD entry Download CIF Download DOT

Citation: St\"urzer, Tobias; Hieke, Christine; L\"ohnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk (2014). Framework structures of interconnected layers in calcium iron arsenides.. Inorganic chemistry, 53, pp. 6235-6240.

Formula: As3 Ca Fe5

Chemical name: calcium iron arsenide

Cell parameters:

  • a = 7.2734(6) Å
  • b = 3.8149(3) Å
  • c = 9.7577(8) Å
  • α = 90°
  • β = 100.7040(15)°
  • 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: As6 Fe10 (As3 Fe5)

Multiplicity: 1

Coordination sequences:

  • 7, 28, 68, 117, 194, 278, 385, 540, 661, 810
  • 7, 30, 61, 121, 197, 289, 393, 520, 672, 825
  • 7, 31, 58, 119, 197, 278, 393, 512, 661, 832
  • 9, 29, 68, 116, 200, 302, 393, 521, 670, 861
  • 9, 30, 68, 126, 199, 281, 393, 550, 681, 813
  • 9, 30, 69, 130, 195, 282, 414, 531, 674, 849
  • 11, 31, 63, 125, 216, 278, 398, 542, 639, 866
  • 13, 29, 69, 138, 192, 298, 417, 516, 696, 856
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