Structure 2002999

2002995 << 2002999 >> 2003004
Original COD entry Download CIF Download DOT

Citation: Glaum, Robert; Reinauer, Felix (1998). Ideal and Real Structure of Ti~5~O~4~(PO~4~)~4~: X-ray and HRTEM Investigations. Acta Crystallographica Section B, 54, pp. 722-731.

Formula: O20 P4 Ti5

Chemical name: Pentatitanium(IV)-tetroxide-tetrakis(phosphate)

Cell parameters:

  • a = 12.8417(12) Å
  • b = 14.4195(13) Å
  • c = 7.4622(9) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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: O80 P16 Ti32 (O5 P Ti2)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 23, 61, 88, 156, 200, 304, 391, 512
  • 3, 12, 23, 61, 88, 157, 202, 308, 390, 511
  • 3, 12, 23, 62, 86, 163, 202, 310, 387, 513
  • 3, 12, 23, 62, 88, 160, 202, 314, 387, 524
  • 3, 13, 21, 60, 86, 162, 196, 305, 380, 511
  • 3, 13, 21, 61, 88, 153, 208, 305, 386, 502
  • 3, 13, 21, 62, 86, 153, 202, 300, 393, 495
  • 3, 13, 22, 62, 88, 157, 200, 307, 382, 526
  • 3, 13, 22, 62, 88, 167, 202, 308, 385, 524
  • 3, 13, 22, 62, 89, 153, 212, 301, 391, 512
  • 3, 13, 22, 63, 87, 164, 199, 314, 395, 513
  • 3, 13, 22, 63, 88, 161, 203, 313, 395, 515
  • 3, 13, 22, 64, 87, 157, 206, 302, 398, 501
  • 3, 13, 23, 63, 90, 159, 204, 322, 386, 517
  • 3, 13, 23, 64, 90, 165, 203, 317, 386, 537
  • 3, 13, 23, 64, 91, 161, 210, 324, 387, 532
  • 3, 17, 28, 67, 105, 166, 239, 324, 422, 546
  • 3, 17, 29, 70, 105, 168, 238, 334, 428, 547
  • 4, 8, 36, 53, 102, 140, 227, 309, 399, 534
  • 4, 8, 36, 54, 101, 144, 232, 308, 406, 538
  • 4, 8, 36, 54, 102, 145, 234, 310, 413, 528
  • 4, 8, 36, 55, 101, 148, 239, 305, 421, 525
  • 4, 19, 29, 72, 111, 189, 241, 346, 433, 583
  • 4, 19, 30, 75, 111, 187, 246, 357, 431, 579
  • 7, 15, 37, 63, 119, 168, 245, 331, 443, 566
  • 7, 15, 38, 63, 118, 169, 250, 337, 441, 550
  • 8, 14, 40, 65, 118, 170, 247, 345, 428, 574
  • 8, 15, 39, 67, 122, 177, 248, 339, 443, 566
  • 8, 15, 41, 66, 133, 172, 267, 337, 464, 558
  • 8, 15, 41, 69, 121, 175, 253, 345, 454, 561
  • 8, 15, 42, 66, 131, 170, 268, 341, 466, 557
  • 8, 16, 42, 71, 124, 176, 265, 354, 455, 563
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