Inorganic Solid Phases

(NH4)12[FeCr(AsMo7O27)2]·13H2O ([NH4]6Cr0.5Mo7Fe0.5[AsO3]O24[H2O]6.5) Crystal Structure

General Information

  • Phase Label(s): [NH4]6Cr0.5Mo7Fe0.5[AsO3]O24[H2O]6.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP200
  • Space Group: 14
  • Phase Prototype: [NH4]6Mo7Fe[AsO3]O24[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 381 variables; 4028 reflections; I > 2σ(I), R = 0.0510; wR = 0.1382
  • Sample Detail(s): sample prepared from As2O3, [NH4]6Mo7O24[H2O]4, NH3[H2O], FeCl3[H2O]6, CrCl3[H2O]6, chemical analysis; 45.6 wt.% Mo, 5.3 wt.% As, 1.8 wt.% Fe, 1.7 wt.% Cr, 2.46 wt.% H, 5.82 wt.% N, single crystal (determination of cell parameters), single crystal, 0.06×0.08×0.11 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]6Cr0.5Mo7Fe0.5[AsO3]O24[H2O]6.5
  • Alphabetic Formula: [AsO3]Cr0.5Fe0.5[H2O]6.5Mo7[NH4]6O24
  • Published Formula: (NH4)12[FeCr(AsMo7O27)2]·13H2O
  • Refined Formula: AsCr0.50Fe0.50H37Mo7N6O33.50
  • Wyckoff Sequence: 14,e50
  • Z Formula Units: 4
  • Density: ρ = 2.71 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_1125301

  • 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

    Citation copied