Structure 7243577

7243576 << 7243577 >> 7243583
Original COD entry Download CIF Download DOT

Citation: Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo (2021). Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials. CrystEngComm, 23, pp. 7097-7107.

Formula: Ca10.64 Gd0.36 Sb9.63

Chemical name: Ca10.64(2)Gd0.36Sb9.63(1)

Cell parameters:

  • a = 11.9850(6) Å
  • b = 11.9850(6) Å
  • c = 17.2845(11) Å
  • α = 90°
  • β = 90°
  • 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: Ca40 Gd40 Sb40 (Ca Gd Sb)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 16, 71, 128, 263, 373, 548, 735, 967
  • 1, 10, 33, 100, 183, 300, 451, 639, 805, 1079
  • 1, 12, 41, 100, 195, 303, 442, 657, 819, 1057
  • 4, 16, 71, 128, 263, 373, 548, 735, 967, 1182
  • 4, 32, 84, 177, 317, 436, 602, 848, 1113, 1237
  • 7, 37, 79, 185, 289, 439, 604, 853, 1004, 1333
  • 7, 42, 103, 161, 313, 463, 587, 830, 1078, 1271
  • 8, 36, 66, 200, 304, 402, 672, 830, 964, 1384
  • 8, 39, 72, 193, 288, 423, 602, 825, 1012, 1343
  • 11, 33, 100, 183, 300, 451, 639, 805, 1079, 1356
  • 13, 41, 100, 195, 303, 442, 657, 819, 1057, 1371
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