Inorganic Solid Phases

K5−x(NH4)xP[Mo4O14(OH)]2·2H2O, x= 2.43 (K2.57[NH4]2.43Mo8[PO4]O24[OH]2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): K2.57[NH4]2.43Mo8[PO4]O24[OH]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS184
  • Space Group: 63
  • Phase Prototype: Cs5Mo8[PO4]O24[OH]2[H2O]2
  • Measurement Detail(s): automatic diffractometer; 40 (determination of cell parameters), automatic diffractometer; Rigaku AFC7 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 130 variables; 1988 reflections; I > 2σ(I), R = 0.048; wR = 0.105
  • Sample Detail(s): sample prepared from Na2HPO4[H2O]2, Na2MoO4[H2O]2, KCl, [NH4]2HPO4, powder (determination of cell parameters), single crystal, 0.015×0.030×0.060 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2.57[NH4]2.43Mo8[PO4]O24[OH]2[H2O]2
  • Alphabetic Formula: [H2O]2K2.57Mo8[NH4]2.43O24[OH]2[PO4]
  • Published Formula: K5−x(NH4)xP[Mo4O14(OH)]2·2H2O, x= 2.43
  • Refined Formula: H13.73K2.57Mo8N2.43O32P
  • Wyckoff Sequence: 63,h6g3f5c6
  • Z Formula Units: 4
  • Density: ρ = 3.29 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_1124642

  • 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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