Inorganic Solid Phases

KNa2CaMg(SO4)3F (KNa2CaMg[SO4]3F) Crystal Structure

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General Information

  • Phase Label(s): KNa2CaMg[SO4]3F
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): krasheninnikovite
  • Pearson Symbol: hP126
  • Space Group: 193
  • Phase Prototype: KNa2CaMg[SO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI MP (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154056 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfate, fluoride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 42 variables, RP = 0.0363; wRP = 0.0485; RB = 0.0427
  • Sample Detail(s): krasheninnikovite sample from Russia, Kamchatka Peninsula, Tolbachik volcanic complex, electron microprobe analysis; K0.67Na2.27Ca0.93Mn0.01Mg1.04Al0.02[SO4]3.04F0.76Cl0.02O0.06, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KNa2CaMg[SO4]3F
  • Alphabetic Formula: CaFKMgNa2[SO4]3
  • Published Formula: KNa2CaMg(SO4)3F
  • Refined Formula: CaFK0.81MgNa2.19O12S3
  • Wyckoff Sequence: 193,lkj5g3fdb
  • Z Formula Units: 6
  • Density: ρ = 2.74 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
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_1229124

  • 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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