Structure 4004048

4004044 << 4004048 >> 4004049
Original COD entry Download CIF Download DOT

Citation: Perez, Christopher J.; Cerretti, Giacomo; Wille, Elizabeth L. K.; Devlin, Kasey P.; Grewal, Navtej S.; Justl, Andrew P.; Wood, Maxwell; Bux, Sabah K.; Kauzlarich, Susan M. (2021). Evolution of Thermoelectric Properties in the Triple Cation Zintl Phase: Yb13--xCaxBaMgSb11 (x = 1--6). Chemistry of Materials, 33, pp. 8059-8069.

Formula: Ba0.25 Ca3.42 Mg1.18 Sb11 Yb10.15

Cell parameters:

  • a = 16.6247(15) Å
  • b = 16.6247(15) Å
  • c = 22.222(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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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: Ba64 Ca48 Mg8 Sb88 Yb112 (Ba8 Ca6 Mg Sb11 Yb14)

Multiplicity: 1

span 1 {1 1 1}