Inorganic Solid Phases

Na25.6{[Mo6+28Mo5+8(OH)2O110(H2O)16]0.4[H14Mo6+120Mo5+28O447(H2O)59]}·250H2O (H14Na25.6Mo162.4O491[OH]0.8[H2O]315.4, T = 100(2) K) Crystal Structure

General Information

  • Phase Label(s): H14Na25.6Mo162.4O491[OH]0.8[H2O]315.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS2350
  • Space Group: 12
  • Phase Prototype: H14Na25.6Mo162.4O491[OH]0.8[H2O]315.4
  • Measurement Detail(s): automatic diffractometer; 9653 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 2287 variables; 29872 reflections; I > 2σ(I), R = 0.0476; wR = 0.1268
  • Sample Detail(s): sample prepared from Na2MoO4[H2O]2, hydrochloric acid, hydrazinium dichloride, chemical analysis; 1.7 wt.% Na, 52.5 wt.% Mo, single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H14Na25.6Mo162.4O491[OH]0.8[H2O]315.4
  • Alphabetic Formula: H14[H2O]315.4Mo162.4Na25.6O491[OH]0.8
  • Published Formula: Na25.6{[Mo6+28Mo5+8(OH)2O110(H2O)16]0.4[H14Mo6+120Mo5+28O447(H2O)59]}·250H2O
  • Refined Formula: H557.04Mo162.40Na6O783.52
  • Wyckoff Sequence: 12,j275i35h2b
  • Z Formula Units: 2
  • Density: ρ = 2.35 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_1024449

  • 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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