Inorganic Solid Phases

[NH4]6[V14As8O42(SO3)] ([NH4]6V14As8[SO3]O42) Crystal Structure

General Information

  • Phase Label(s): [NH4]6V14As8[SO3]O42
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP158
  • Space Group: 114
  • Phase Prototype: [NH4]6V14As8[SO3]O42
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 294(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfite, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 111 variables; 1136 reflections; F > 3.92σ(F), R = 0.046; wR = 0.047
  • Sample Detail(s): sample prepared from NH4VO3, As2O3, Na2S2O3, NH3, NH4SCN, chemical analysis; As7.99H24.03N5.50O47.61S0.96V13.91; As, H, N, S and V content analyzed, single crystal (determination of cell parameters), single crystal, 0.30×0.35×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]6V14As8[SO3]O42
  • Alphabetic Formula: As8[NH4]6O42[SO3]V14
  • Published Formula: [NH4]6[V14As8O42(SO3)]
  • Refined Formula: As8H24N6O45SV14
  • Wyckoff Sequence: 114,e18dc2b
  • Z Formula Units: 2
  • Density: ρ = 3.17 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_1705218

  • 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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