Inorganic Solid Phases

(Na14.2Ca0.4Sr0.2K0.2)(Ca2.7REE0.3Fe2.2Ca0.5Mn0.3)Zr3(Na1.5Zr0.8Hf0.1Mn0.6)(Si0.4Al0.1Nb0.2Ti0.15Mg0.15)Si25O73(O,OH)2.6(Cl,H2O)2 (Na15.9Ca3.8Zr4Mn0.9Fe2.2Si25.4Cl0.9O73[OH]2.6[H2O]1.1) Crystal Structure

General Information

  • Phase Label(s): Na15.9Ca3.8Zr4Mn0.9Fe2.2Si25.4Cl0.9O73[OH]2.6[H2O]1.1
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR486
  • Space Group: 146
  • Phase Prototype: Na16.1Sr0.45Ca2.10Ce1.15Zr3.45Nb0.45Mn3.75Si25.55O74.54[OH]1.27[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 62 variables, R = 0.037
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Lovozero massif, Mt. Kedykverpakhk, electron microprobe analysis; Na15.4K0.2Ca3.4Sr0.2Fe0.2Mn0.9Mg0.2Al0.25REE0.3Zr3.8Hf0.1Ti0.15Nb0.2Si25O73[OH]0.75Cl1.1, single crystal (determination of cell parameters), single crystal, 0.2×0.3×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na15.9Ca3.8Zr4Mn0.9Fe2.2Si25.4Cl0.9O73[OH]2.6[H2O]1.1
  • Alphabetic Formula: Ca3.8Cl0.9Fe2.2[H2O]1.1Mn0.9Na15.9O73[OH]2.6Si25.4Zr4
  • Published Formula: (Na14.2Ca0.4Sr0.2K0.2)(Ca2.7REE0.3Fe2.2Ca0.5Mn0.3)Zr3(Na1.5Zr0.8Hf0.1Mn0.6)(Si0.4Al0.1Nb0.2Ti0.15Mg0.15)Si25O73(O,OH)2.6(Cl,H2O)2
  • Refined Formula: Al0.20Ca4ClFe2.20H3.08Hf0.10K0.50Mg0.15Mn0.90Na15.01Nb0.20O76.60Si25.30Sr0.50Ti0.15Zr3.80
  • Wyckoff Sequence: 146,b50a12
  • Z Formula Units: 3
  • Density: ρ = 2.87 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_1217251

  • 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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