Structure 1545048

1545032 << 1545048 >> 1545049
Original COD entry Download CIF Download DOT

Citation: Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C. (2016). Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K. Scientific Reports, 6, pp. 34988--.

Formula: H0.162 Mg1.8965 O4 Si1.001

Cell parameters:

  • a = 5.6865(4) Å
  • b = 11.515(2) Å
  • c = 8.2545(7) 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: H16 Mg16 O32 Si8 (H2 Mg2 O4 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 13, 26, 43, 66, 111, 188, 241, 281, 347
  • 3, 11, 28, 77, 91, 142, 145, 277, 294, 461
  • 4, 11, 42, 64, 106, 119, 212, 221, 370, 372
  • 4, 17, 31, 67, 85, 159, 171, 283, 282, 450
  • 4, 19, 33, 69, 89, 152, 167, 295, 297, 459
  • 6, 12, 40, 60, 106, 120, 206, 224, 380, 364
  • 6, 16, 36, 48, 118, 128, 204, 218, 368, 358
  • 8, 19, 38, 48, 106, 131, 234, 236, 350, 343
  • 9, 21, 30, 61, 71, 172, 195, 287, 276, 435
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