Inorganic Solid Phases

InAsO4·2H2O (In[AsO4][H2O]2) Crystal Structure

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General Information

  • Phase Label(s): In[AsO4][H2O]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): yanomamite
  • Pearson Symbol: oP64
  • Space Group: 61
  • Phase Prototype: In[PO4][H2O]2
  • Measurement Detail(s): automatic diffractometer; 36 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART APEX (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 parameters), T = 298(1) K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenate, hydrate
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement on F2; 86 variables; 1202 reflections; I > 2σ(I), R = 0.0367; wR = 0.0844
  • Sample Detail(s): sample prepared from InCl3, As2O5[H2O]x, (CH3)4NOH[H2O]5, CsNO3, Cd(C2H3O2)[H2O]2, amounts of CsIn[HAsO4]2 (main phase), single crystal (determination of cell parameters), single crystal, 0.12×0.12×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: In[AsO4][H2O]2
  • Alphabetic Formula: [AsO4][H2O]2In
  • Published Formula: InAsO4·2H2O
  • Refined Formula: AsH4InO6
  • Wyckoff Sequence: 61,c8
  • Z Formula Units: 8
  • Density: ρ = 3.90 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
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_1020620

  • 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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