Inorganic Solid Phases

(Ba0.42K0.340.24)(Ca0.88Fe0.12)2(0.90Mg0.10)2[Si6(Al0.5Si0.5)2O17((OH)0.71O0.29)2]·6H2O (K0.34Ba0.42Ca1.76Mg0.2Fe0.24AlSi7O17.58[OH]1.42[H2O]6) Crystal Structure

General Information

  • Phase Label(s): K0.34Ba0.42Ca1.76Mg0.2Fe0.24AlSi7O17.58[OH]1.42[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hydrodelhayelite
  • Pearson Symbol: oP84
  • Space Group: 59
  • Phase Prototype: K0.34Ba0.42(Ca0.88Fe0.12)2Mg0.2(Al0.125Si0.875)8O17.58[OH]1.42[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 106 variables; 1483 reflections; I > 2σ(I), R = 0.0698; wR = 0.1432
  • Sample Detail(s): hydrodelhayelite-(Ba) sample from Germany, Rhineland-Palatinate, Eifel, Üdersdorf, Löhley quarry, electron microprobe analysis; K0.30Mg0.24Ca1.84Ba0.39Fe0.30Al1.01Si6.99Ox; K0.33Mg0.06Ca1.62Ba0.42Fe0.20Al1.04Si6.96Ox, single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.34Ba0.42Ca1.76Mg0.2Fe0.24AlSi7O17.58[OH]1.42[H2O]6
  • Alphabetic Formula: AlBa0.42Ca1.76Fe0.24[H2O]6K0.34Mg0.2O17.58[OH]1.42Si7
  • Published Formula: (Ba0.42K0.340.24)(Ca0.88Fe0.12)2(0.90Mg0.10)2[Si6(Al0.5Si0.5)2O17((OH)0.71O0.29)2]·6H2O
  • Refined Formula: AlBa0.42Ca1.76Fe0.24H13.42K0.34Mg0.20O25Si7
  • Wyckoff Sequence: 59,g4f2e9dba
  • Z Formula Units: 2
  • Density: ρ = 2.37 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1243186

  • 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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