Structure 4329322

4329321 << 4329322 >> 4329323
Original COD entry Download CIF Download DOT

Citation: Andrew C. Malingowski; Peter W. Stephens; Ashfia Huq; Qingzhen Huang; Syed Khalid; Peter G. Khalifah (2012). Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4 and Its Implications for Water Splitting Activity in the Wolframite Structure Type. Inorganic Chemistry, 51, pp. 6096-6103.

Formula: In0.94 Ni0.04 O4 Ta1.02

Cell parameters:

  • a = 4.824528(27) Å
  • b = 5.773787(30) Å
  • c = 5.155303(25) Å
  • α = 90.0°
  • β = 91.37640(30)°
  • γ = 90.0°

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: In2 Ni2 O8 Ta4 (In Ni O4 Ta2)

Multiplicity: 1

Coordination sequences:

  • 5, 20, 47, 90, 133, 211, 304, 364, 482, 581
  • 6, 26, 62, 78, 136, 252, 312, 362, 434, 688
  • 7, 20, 40, 92, 143, 210, 276, 366, 500, 575
  • 10, 26, 50, 112, 170, 194, 270, 440, 524, 556
  • 12, 24, 50, 112, 170, 194, 270, 440, 524, 556
  • 14, 22, 50, 112, 170, 194, 270, 440, 524, 556
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