Structure 2108439

2108393 << 2108439 >> 2108440
Original COD entry Download CIF Download DOT

Citation: Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel (2016). (Na,\W)5[MnO2]13 does not have the roman\`echite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction.. Acta Crystallographica, Section B, 72, pp. 893-903.

Formula: Mn13 Na3.98 O26

Chemical name: sodium manganese oxide

Cell parameters:

  • a = 22.5199(6) Å
  • b = 2.83987(6) Å
  • c = 14.8815(4) Å
  • α = 90.0°
  • β = 105.0925(16)°
  • γ = 90.0°

List type: interleaving

List: 1-3D

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 3

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: Mn26 O52 (Mn O2)

Multiplicity: 1

Coordination sequences:

  • 2, 14, 22, 33, 71, 110, 145, 228, 297, 400
  • 3, 16, 23, 50, 67, 120, 169, 229, 361, 374
  • 3, 16, 24, 56, 70, 119, 176, 229, 370, 380
  • 3, 16, 26, 67, 95, 151, 175, 250, 347, 353
  • 3, 16, 26, 69, 94, 144, 172, 240, 349, 351
  • 3, 18, 29, 54, 85, 142, 201, 259, 378, 446
  • 3, 18, 29, 61, 106, 151, 221, 277, 342, 488
  • 3, 18, 31, 74, 126, 166, 219, 274, 342, 478
  • 3, 19, 29, 50, 86, 135, 199, 254, 369, 445
  • 3, 20, 36, 75, 98, 154, 248, 309, 345, 455
  • 3, 23, 39, 66, 101, 123, 216, 250, 396, 441
  • 3, 23, 39, 67, 105, 131, 236, 240, 416, 462
  • 3, 23, 42, 64, 111, 193, 215, 268, 393, 481
  • 7, 14, 46, 69, 110, 190, 216, 282, 385, 409
  • 10, 19, 29, 61, 97, 132, 207, 274, 372, 432
  • 10, 21, 42, 85, 132, 158, 228, 274, 359, 452
  • 10, 21, 44, 62, 87, 167, 185, 324, 366, 493
  • 10, 21, 47, 79, 107, 165, 187, 325, 336, 467
  • 10, 24, 45, 62, 125, 167, 232, 329, 392, 494
  • 12, 24, 34, 74, 96, 178, 216, 296, 428, 462
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Na2 (Na)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Na2 (Na)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}