Inorganic Solid Phases

(K,Sr,Ba,Mn)15−16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0·nH2O (K13.88Na6.4Ba0.32SrCa25.64Mn0.4Si70O171[OH]11F2[H2O]3.18) Crystal Structure

General Information

  • Phase Label(s): K13.88Na6.4Ba0.32SrCa25.64Mn0.4Si70O171[OH]11F2[H2O]3.18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): charoite
  • Pearson Symbol: mP316
  • Space Group: 11
  • Phase Prototype: K13.88Na6.4Ba0.32SrCa25.64Mn0.4Si70O171[OH]11F2[H2O]3.18
  • Measurement Detail(s): electron diffraction and HREM (determination of cell parameters), electron diffraction and microscopy (determination of structural parameters), electrons; λ = 0.00197 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 2878 reflections; F > 4σ(F), R = 0.17; wR = 0.21
  • Sample Detail(s): charoite sample from Russia, Sakha (Yakutia), Murun massif, electron microprobe analysis; (K13.88Sr1.0Ba0.32Mn0.36)(Ca25.64Na6.36)[(Si6O11[O,OH]6)2(Si17O25[O,OH]18)2][OH,F]4.0[H2O]3.18, single crystal (determination of cell parameters), single crystal, 0.0002×0.0002×0.001 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K13.88Na6.4Ba0.32SrCa25.64Mn0.4Si70O171[OH]11F2[H2O]3.18
  • Alphabetic Formula: Ba0.32Ca25.64F2[H2O]3.18K13.88Mn0.4Na6.4O171[OH]11Si70Sr
  • Published Formula: (K,Sr,Ba,Mn)15−16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0·nH2O
  • Refined Formula: Ba0.32Ca25.64F2H8.36K13.88Mn0.36Na6.36O185.18Si70Sr
  • Wyckoff Sequence: 11,f68e22
  • Z Formula Units: 1
  • Density: ρ = 2.56 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_1225459

  • 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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