Inorganic Solid Phases

K18.5H1.5[Ce3(CO3)(SbW9O33)(W5O18)3]·14H2O (H1.5K18.5Ce3W24Sb[CO3]O87[H2O]14) Crystal Structure

General Information

  • Phase Label(s): H1.5K18.5Ce3W24Sb[CO3]O87[H2O]14
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS636
  • Space Group: 12
  • Phase Prototype: H1.5K18.5Ce3W24Sb[CO3]O87[H2O]14
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFCSR (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 298 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; 476 variables; 7416 reflections; I > 2σ(I), R = 0.090; wR = 0.051
  • Sample Detail(s): sample prepared from WO3, KOH, KHCO3, CeCl3[H2O]7, Sb2O3 (valentinite), chemical analysis; 0.19 wt.% C, 5.82 wt.% Ce, 0.48 wt.% H, 10.5 wt.% K, 1.32 wt.% Sb, 52.3 wt.% W, single crystal (determination of cell parameters), single crystal, 0.2×0.3×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H1.5K18.5Ce3W24Sb[CO3]O87[H2O]14
  • Alphabetic Formula: [CO3]Ce3H1.5[H2O]14K18.5O87SbW24
  • Published Formula: K18.5H1.5[Ce3(CO3)(SbW9O33)(W5O18)3]·14H2O
  • Refined Formula: CCe3H28K18.50O104SbW24
  • Wyckoff Sequence: 12,j64i31
  • Z Formula Units: 4
  • Density: ρ = 4.81 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
B [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_1611805

  • 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