Inorganic Solid Phases

(NH4)5Mo2Cl9·H2O ([NH4]5Mo2Cl9[H2O], T = 301 K) Crystal Structure

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General Information

  • Phase Label(s): [NH4]5Mo2Cl9[H2O]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oS68
  • Space Group: 36
  • Phase Prototype: [NH4]5Mo2Cl9[H2O]
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; General Electric XRD-5 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 301 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 534 reflections, R = 0.065; wR = 0.092
  • Sample Detail(s): chemical analysis; 31.6 wt.% Mo, 51.4 wt.% Cl, 10.6 wt.% N, 3.62 wt.% H, single crystal (determination of cell parameters), single crystal, 0.02×0.02×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]5Mo2Cl9[H2O]
  • Alphabetic Formula: Cl9[H2O]Mo2[NH4]5
  • Published Formula: (NH4)5Mo2Cl9·H2O
  • Refined Formula: Cl9H22Mo2N5O
  • Wyckoff Sequence: 36,b4a9
  • Z Formula Units: 4
  • Density: ρ = 2.25 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002820

  • 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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