Inorganic Solid Phases

(NH4)3Mo(NCS)6·H2O·HCl (H[NH4]3Mo[SCN]6Cl[H2O]) Crystal Structure

General Information

  • Phase Label(s): H[NH4]3Mo[SCN]6Cl[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP104
  • Space Group: 62
  • Phase Prototype: H[NH4]3Mo[SCN]6Cl[H2O]
  • Measurement Detail(s): Weissenberg photographs (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): thiocyanate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1089 reflections; I > 3σ(I), R = 0.095
  • Sample Detail(s): single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H[NH4]3Mo[SCN]6Cl[H2O]
  • Alphabetic Formula: ClH[H2O]Mo[NH4]3[SCN]6
  • Published Formula: (NH4)3Mo(NCS)6·H2O·HCl
  • Refined Formula: C6ClH14MoN9OS6
  • Wyckoff Sequence: 62,d9c8
  • Z Formula Units: 4
  • Density: ρ = 1.56 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1715745

  • 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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