Inorganic Solid Phases

Rb4Na1.75Cl0.75[H7P4Mo6S6O25]·8H2O (H7Rb4Na1.75Mo6[PO4]4S6Cl0.75O9[H2O]8) Crystal Structure

General Information

  • Phase Label(s): H7Rb4Na1.75Mo6[PO4]4S6Cl0.75O9[H2O]8
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: hR336
  • Space Group: 148
  • Phase Prototype: H4Rb4Na1.75Mo6[PO4]4S6Cl0.75O6[OH]3[H2O]8
  • Measurement Detail(s): automatic diffractometer; 94 (determination of cell parameters), automatic diffractometer; Siemens P4 SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, chloride, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 171 variables; 2803 reflections; I > 2σ(I), R = 0.055; wR = 0.144
  • Sample Detail(s): sample prepared from K2.6[NMe4]0.4(I3Mo12S12O12[OH]12[H2O]6)[H2O]30, NaH2PO4[H2O]2, RbCl, chemical analysis; 30.35 wt.% Mo, 18.68 wt.% Rb, 10.18 wt.% S, 6.70 wt.% P, 1.86 wt.% Na, 1.62 wt.% Cl, single crystal (determination of cell parameters), single crystal, 0.05×0.26×0.36 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4Rb4Na1.75Mo6[PO4]4S6Cl0.75O6[OH]3[H2O]8
  • Alphabetic Formula: Cl0.75H4[H2O]8Mo6Na1.75O6[OH]3[PO4]4Rb4S6
  • Published Formula: Rb4Na1.75Cl0.75[H7P4Mo6S6O25]·8H2O
  • Refined Formula: Cl0.75H19Mo6Na1.76O31P4Rb4S6
  • Wyckoff Sequence: 148,f17c4ba
  • Z Formula Units: 6
  • Density: ρ = 3.01 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_1123643

  • 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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