Structure 4000012

4000011 << 4000012 >> 4000013
Original COD entry Download CIF Download DOT

Citation: Tougait, Olivier; Ibers, James A. (2000). Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm). Chemistry of Materials, 12, pp. 2653-2658.

Formula: Nd3.67 O3 Se6 Ti2

Cell parameters:

  • a = 28.121(6) Å
  • b = 3.8232(8) Å
  • c = 11.179(2) Å
  • α = 90.00°
  • β = 90.15(3)°
  • γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: Nd16 O12 Se24 Ti8 (Nd4 O3 Se6 Ti2)

Multiplicity: 1

Coordination sequences:

  • 4, 26, 48, 140, 207, 322, 451, 624, 737, 999
  • 4, 27, 59, 147, 224, 311, 483, 710, 834, 1022
  • 4, 30, 67, 149, 216, 323, 512, 662, 804, 1050
  • 5, 34, 69, 144, 231, 366, 473, 689, 872, 1115
  • 5, 34, 81, 154, 264, 376, 492, 735, 905, 1072
  • 5, 36, 75, 143, 260, 412, 487, 737, 881, 1096
  • 5, 47, 92, 156, 271, 403, 512, 710, 941, 1109
  • 6, 32, 64, 175, 260, 358, 541, 665, 808, 1255
  • 6, 41, 87, 182, 258, 393, 501, 807, 920, 1089
  • 8, 28, 82, 178, 256, 346, 574, 768, 858, 1104
  • 9, 28, 74, 158, 262, 379, 511, 678, 874, 1097
  • 9, 29, 97, 150, 261, 386, 502, 666, 960, 1075
  • 12, 42, 84, 184, 244, 398, 538, 752, 862, 1184
  • 14, 41, 97, 176, 276, 376, 606, 724, 951, 1122
  • 15, 37, 90, 177, 270, 394, 544, 688, 874, 1153
  • 15, 44, 113, 174, 280, 397, 602, 745, 945, 1145
span 1 {1 1 1}