Inorganic Solid Phases

Cs10.5(NH4)16.5[Cs{(BW11O39)4(H16Mo8W8O52)}]·48H2O (H16Cs11.5[NH4]16.5W52Mo8B4O208[H2O]48) Crystal Structure

General Information

  • Phase Label(s): H16Cs11.5[NH4]16.5W52Mo8B4O208[H2O]48
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS1268
  • Space Group: 12
  • Phase Prototype: H16Cs11.5[NH4]16.5W52Mo8B4O208[H2O]48
  • Measurement Detail(s): automatic diffractometer; Bruker AXS X8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293(2) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1470 variables; 20890 reflections; I > 2σ(I), R = 0.0719; wR = 0.2110
  • Sample Detail(s): sample prepared from K8(α-BW11O39)[H2O]13, chemical analysis; 9.25 wt.% Cs, 1.20 wt.% N, 0.27 wt.% B, 59.1 wt.% W, 4.10 wt.% Mo, single crystal, 0.08×0.10×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H16Cs11.5[NH4]16.5W52Mo8B4O208[H2O]48
  • Alphabetic Formula: B4Cs11.5H16[H2O]48Mo8[NH4]16.5O208W52
  • Published Formula: Cs10.5(NH4)16.5[Cs{(BW11O39)4(H16Mo8W8O52)}]·48H2O
  • Refined Formula: B4Cs12.01H44Mo8O230W52
  • Wyckoff Sequence: 12,j136i42h2g
  • Z Formula Units: 4
  • Density: ρ = 4.04 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1716375

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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