Inorganic Solid Phases

K15Na2[K2{(BW11O39)2(H5Mo13W2O48)}]·42H2O (H5K17Na2W24Mo13B2O126[H2O]42) Crystal Structure

General Information

  • Phase Label(s): H5K17Na2W24Mo13B2O126[H2O]42
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI816
  • Space Group: 46
  • Phase Prototype: H5K17Na2W24Mo13B2O126[H2O]42
  • 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 = 296(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; 924 variables; 20470 reflections; I > 2σ(I), R = 0.0447; wR = 0.1232
  • Sample Detail(s): sample prepared from K8(α-BW11O39)[H2O]13, Na2MoO4[H2O]2, chemical analysis; 0.46 wt.% Na, 7.31 wt.% K, 0.34 wt.% B, 47.58 wt.% W, 13.62 wt.% Mo, single crystal, 0.06×0.10×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H5K17Na2W24Mo13B2O126[H2O]42
  • Alphabetic Formula: B2H5[H2O]42K17Mo13Na2O126W24
  • Published Formula: K15Na2[K2{(BW11O39)2(H5Mo13W2O48)}]·42H2O
  • Refined Formula: B2H42K12.50Mo13Na0.50O147W24
  • Wyckoff Sequence: 46,c94b15a
  • Z Formula Units: 4
  • Density: ρ = 3.71 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_1716374

  • 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

    Citation copied