Inorganic Solid Phases

Ca4(Na3Ca)K7(Si14Al2)O38Cl2F4 (K7Na3Ca5Al2Si14Cl2O38F4) Crystal Structure

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General Information

  • Phase Label(s): K7Na3Ca5Al2Si14Cl2O38F4
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): delhayelite
  • Pearson Symbol: oP76
  • Space Group: 59
  • Phase Prototype: K7Na3Ca5(Al0.125Si0.875)16Cl2O38F4
  • Measurement Detail(s): rotation and Weissenberg photographs (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, chloride, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.088
  • Sample Detail(s): delhayelite sample from Democratic Republic of Congo (Zaire), Kivu, Mt. Shaheru, electron microprobe analysis; 49.19 wt.% SiO2, 5.84 wt.% Al2O3, 16.07 wt.% CaO, 5.33 wt.% Na2O, 18.90 wt.% K2O, 4.36 wt.% F, 4.06 wt.% Cl, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K7Na3Ca5Al2Si14Cl2O38F4
  • Alphabetic Formula: Al2Ca5Cl2F4K7Na3O38Si14
  • Published Formula: Ca4(Na3Ca)K7(Si14Al2)O38Cl2F4
  • Refined Formula: Al2Ca5Cl1.80F4K7.20Na3O38Si14
  • Wyckoff Sequence: 59,g4e8db2a2
  • Z Formula Units: 1
  • Density: ρ = 2.52 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
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_1626206

  • 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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