Inorganic Solid Phases

(NH4)Mo5.3O17.3H1.7·0.4H2O (H0.85[NH4]0.5Mo2.65O8.65[H2O]0.2 m) Crystal Structure

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General Information

  • Phase Label(s): H0.85[NH4]0.5Mo2.65O8.65[H2O]0.2 m
  • Structure Class(es): hexagonal bronze
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP26
  • Space Group: 176
  • Phase Prototype: Cs0.42Mo3O9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Scintag XDS-2000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.053; wRP = 0.089; RB = 0.037
  • Sample Detail(s): sample prepared from NH4[OH], HCl, chemical analysis; [NH4]Mo5.3O17.3H1.7[H2O]0.4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.85[NH4]0.5Mo2.65O8.65[H2O]0.2
  • Alphabetic Formula: H0.85[H2O]0.2Mo2.65[NH4]0.5O8.65
  • Published Formula: (NH4)Mo5.3O17.3H1.7·0.4H2O
  • Refined Formula: H1.71Mo2.65N0.43O8.65
  • Wyckoff Sequence: 176,h4a
  • Z Formula Units: 2
  • Density: ρ = 3.76 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1101508

  • 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)

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