Inorganic Solid Phases

K0.6Na0.36Ca2Mg0.7Fe4.3Al1.7Si6.3Cl1.4O22[OH]0.6 (K0.7Na0.3Ca2Mg1.1Fe3.9Al2.2Si5.8Cl0.9O22[OH]1.1) Crystal Structure

General Information

  • Phase Label(s): K0.7Na0.3Ca2Mg1.1Fe3.9Al2.2Si5.8Cl0.9O22[OH]1.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hastingsite
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: K0.7Na0.3Ca2Mg1.1Fe3.9(Al0.275Si0.725)8Cl0.9O22[OH]1.1
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 485 reflections; F > 3σ(F), R = 0.059
  • Sample Detail(s): dashkesanite sample from Azerbaijan, Dashkesan deposit, electron microprobe analysis; (K0.62Na0.33)(Ca1.94Mn0.06)(Fe2+3.25Mg0.69)(Fe3+0.97Ti0.03)[Si5.78Al2.19Ti0.03]O22[Cl1.31F0.06OH0.29], single crystal (determination of cell parameters), single crystal, 0.35×0.4×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.6Na0.36Ca2Mg0.7Fe4.3Al1.7Si6.3Cl1.4O22[OH]0.6
  • Alphabetic Formula: Al1.7Ca2Cl1.4Fe4.3K0.6Mg0.7Na0.36O22[OH]0.6Si6.3
  • Published Formula: K0.6Na0.36Ca2Mg0.7Fe4.3Al1.7Si6.3Cl1.4O22[OH]0.6
  • Refined Formula: Al1.70Ca2Cl1.40Fe4.30H0.56K0.61Mg0.70Na0.36O22.56Si6.30
  • Wyckoff Sequence: 12,j7i4h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.54 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1012958

  • 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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