Inorganic Solid Phases

CH54K8.5As2W18Dy2.5O96; K8H3+2n[Dy3−nKn(H2O)3(CO3)(A-α-AsW9O34)(A-β-AsW9O34)]·22H2O, n= 0 or 1 (H4K8.5Dy2.5W18As2[CO3]O68[H2O]25) Crystal Structure

General Information

  • Phase Label(s): H4K8.5Dy2.5W18As2[CO3]O68[H2O]25
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP636
  • Space Group: 62
  • Phase Prototype: H4K8.5Dy2.5W18As2[CO3]O68[H2O]25
  • Measurement Detail(s): automatic diffractometer; 6895 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 704 variables; 6412 reflections; I > 2σ(I), R = 0.0690; wR = 0.1648
  • Sample Detail(s): sample prepared from Na8H[A-αAsW9O34][H2O]11, DyCl3[H2O]6, H4cit[H2O], KCl, inductive coupled plasma method; 0.25 wt.% C, 0.84 wt.% H, 5.47 wt.% K, 7.55 wt.% Dy, 2.36 wt.% As, 56.40 wt.% W, single crystal (determination of cell parameters), single crystal, 0.02×0.03×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4K8.5Dy2.5W18As2[CO3]O68[H2O]25
  • Alphabetic Formula: As2[CO3]Dy2.5H4[H2O]25K8.5O68W18
  • Published Formula: CH54K8.5As2W18Dy2.5O96; K8H3+2n[Dy3−nKn(H2O)3(CO3)(A-α-AsW9O34)(A-β-AsW9O34)]·22H2O, n= 0 or 1
  • Refined Formula: As2CDy2.50H48K8.50O95W18
  • Wyckoff Sequence: 62,d61c37
  • Z Formula Units: 4
  • Density: ρ = 4.10 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_1021587

  • 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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