Structure 2237725

2237722 << 2237725 >> 2237726
Original COD entry Download CIF Download DOT

Citation: Ishizawa, Nobuo; Ninomiya, Keisuke; Sakakura, Terutoshi; Wang, Jun (2013). Redetermination of Nd~2~Ti~2~O~7~: a non-centrosymmetric structure with perovskite-type slabs. Acta Crystallographica Section E, 69, pp. i19-.

Formula: Nd2 O7 Ti2

Chemical name: Dineodymium(III) dititanium(IV) heptaoxide

Cell parameters:

  • a = 7.67470(10) Å
  • b = 13.0025(2) Å
  • c = 5.46400(10) Å
  • α = 90°
  • β = 90°
  • γ = 98.5165(5)°

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: Nd8 O28 Ti8 (Nd2 O7 Ti2)

Multiplicity: 1

Coordination sequences:

  • 3, 31, 103, 207, 357, 563, 873, 1176, 1478, 1844
  • 3, 31, 105, 243, 406, 628, 833, 1179, 1531, 1928
  • 4, 35, 109, 242, 429, 616, 840, 1170, 1544, 1988
  • 4, 35, 109, 249, 424, 589, 861, 1151, 1581, 1947
  • 4, 36, 111, 232, 403, 620, 871, 1185, 1503, 1959
  • 4, 37, 105, 224, 369, 604, 893, 1172, 1514, 1864
  • 4, 38, 107, 254, 412, 605, 858, 1158, 1618, 1919
  • 4, 38, 116, 238, 406, 634, 924, 1225, 1532, 1988
  • 4, 38, 117, 230, 426, 607, 909, 1193, 1548, 1963
  • 4, 39, 120, 240, 416, 643, 914, 1220, 1562, 1986
  • 4, 40, 120, 228, 396, 603, 914, 1222, 1491, 1956
  • 4, 41, 123, 228, 400, 621, 878, 1218, 1518, 1974
  • 5, 46, 117, 229, 382, 626, 910, 1215, 1538, 1904
  • 5, 46, 118, 233, 386, 628, 935, 1192, 1545, 1890
  • 11, 57, 156, 282, 483, 700, 1003, 1291, 1660, 2088
  • 12, 60, 158, 290, 499, 666, 1020, 1265, 1732, 2073
  • 12, 67, 151, 279, 444, 728, 1010, 1342, 1655, 2055
  • 12, 67, 154, 288, 449, 734, 1054, 1281, 1692, 2026
  • 15, 52, 159, 301, 486, 718, 924, 1338, 1687, 2112
  • 15, 60, 157, 330, 490, 700, 954, 1336, 1739, 2119
  • 20, 72, 170, 293, 493, 749, 1026, 1351, 1688, 2131
  • 21, 74, 165, 294, 488, 760, 1038, 1334, 1680, 2124
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