Inorganic Solid Phases

CuNH4MoS4 ([NH4]CuMoS4) Crystal Structure

General Information

  • Phase Label(s): [NH4]CuMoS4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI14
  • Space Group: 82
  • Phase Prototype: [NH4]CuMoS4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Norelco (determination of structural parameters), X-rays, Co Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 40 reflections, R = 0.08
  • Sample Detail(s): sample prepared from [NH4]2S, NH4[OH], [NH4]6Mo7O24[H2O]4, CuSO4[H2O]5, chemical analysis; Cu[NH4]1.07Mo1.05S4.09, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [NH4]CuMoS4
  • Alphabetic Formula: CuMo[NH4]S4
  • Published Formula: CuNH4MoS4
  • Refined Formula: CuH4MoNS4
  • Wyckoff Sequence: 82,gcba
  • Z Formula Units: 2
  • Density: ρ = 2.93 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002833

  • 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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