Inorganic Solid Phases

(Ba0.38Ca0.20K0.06Na0.02)[P2(V3.44Al0.46)O10.34(OH)5.66]·12H2O (K0.08Ba0.38Ca0.20V3.44Al0.46[PO4]2O2.34[OH]5.66[H2O]12) Crystal Structure

General Information

  • Phase Label(s): K0.08Ba0.38Ca0.20V3.44Al0.46[PO4]2O2.34[OH]5.66[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI188
  • Space Group: 217
  • Phase Prototype: Ba0.42Ca0.20V3.44Al0.46[PO4]2O2.34[OH]5.66[H2O]12
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, 24 variables; 93 reflections, R = 0.066; wR = 0.061
  • Sample Detail(s): sample from U.S.A. Idaho, Soda Springs, Monsanto's Enoch Valley mine, electron microprobe analysis; composition confirmed, powder (determination of cell parameters), single crystal, 0.02×0.04×0.04 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.08Ba0.38Ca0.20V3.44Al0.46[PO4]2O2.34[OH]5.66[H2O]12
  • Alphabetic Formula: Al0.46Ba0.38Ca0.20[H2O]12K0.08O2.34[OH]5.66[PO4]2V3.44
  • Published Formula: (Ba0.38Ca0.20K0.06Na0.02)[P2(V3.44Al0.46)O10.34(OH)5.66]·12H2O
  • Refined Formula: Al0.52Ba0.39H21.25O24.63P2V3.48
  • Wyckoff Sequence: 217,hg5dc
  • Z Formula Units: 6
  • Density: ρ = 2.13 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1612910

  • 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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