Inorganic Solid Phases

(Na2.2K0.1)(Ca0.4Na0.2Mn0.1)(Zr0.8Fe0.1Ti0.03Hf0.03)[Si6O12(OH)3(OH0.6O0.4)3]·0.9H2O (K0.1Na2.4Ca0.4Zr0.85Mn0.1Fe0.15Si6O13.2[OH]4.8[H2O]0.9) Crystal Structure

General Information

  • Phase Label(s): K0.1Na2.4Ca0.4Zr0.85Mn0.1Fe0.15Si6O13.2[OH]4.8[H2O]0.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lovozerite
  • Pearson Symbol: hR96
  • Space Group: 146
  • Phase Prototype: Na2CaZrSi6O12(O0.33[OH]0.67)6[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.077
  • Sample Detail(s): lovozerite sample from Russia, Kola Peninsula, Khibiny massif, electron microprobe analysis; composition determined as Na1.52K0.08Ca0.50Mn0.12Mg0.02Zr0.77Fe0.15Ti0.04Hf0.01(Si6O12.61[OH]5.39)[H2O]0.82, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Na2.4Ca0.4Zr0.85Mn0.1Fe0.15Si6O13.2[OH]4.8[H2O]0.9
  • Alphabetic Formula: Ca0.4Fe0.15[H2O]0.9K0.1Mn0.1Na2.4O13.2[OH]4.8Si6Zr0.85
  • Published Formula: (Na2.2K0.1)(Ca0.4Na0.2Mn0.1)(Zr0.8Fe0.1Ti0.03Hf0.03)[Si6O12(OH)3(OH0.6O0.4)3]·0.9H2O
  • Refined Formula: Ca0.35Fe0.14H6.60Hf0.03K0.09Mn0.08Na2.39O18.90Si6Ti0.03Zr0.80
  • Wyckoff Sequence: 146,b10a2
  • Z Formula Units: 3
  • Density: ρ = 2.72 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_1121552

  • 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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