Inorganic Solid Phases

Na15(M1)6(M2)3Zr3(M3)(Si25O72)(O,OH,H2O)3X2 (Na13Sr1.2Ca6.8Zr3Mn1.5FeSi26Cl0.9O74[OH]1.1[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Na13Sr1.2Ca6.8Zr3Mn1.5FeSi26Cl0.9O74[OH]1.1[H2O]2
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR441
  • Space Group: 160
  • Phase Prototype: Na13Sr1.2Ca6.8Zr3Mn1.5FeSi26Cl0.9O74[OH]1.1[H2O]2
  • Measurement Detail(s): automatic diffractometer; Siemens (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 284 variables; 3536 reflections, R = 0.043; wR = 0.084
  • Sample Detail(s): sample from Greenland, East Greenland, Gardiner complex, electron microprobe analysis; 47.23 wt.% SiO2, 0.82 wt.% TiO2, 9.85 wt.% ZrO2, 2.64 wt.% Nb2O5, 2.32 wt.% FeO, 3.0 wt.% MnO, 11.91 wt.% CaO, 4.13 wt.% SrO, 14.18 wt.% Na2O, 0.50 wt.% Cl, < 0.5 wt.% Ta2O5, La2O3, Ce2O3, Y2O3, BaO, K2O, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Na13Sr1.2Ca6.8Zr3Mn1.5FeSi26Cl0.9O74[OH]1.1[H2O]2
  • Alphabetic Formula: Ca6.8Cl0.9Fe[H2O]2Mn1.5Na13O74[OH]1.1Si26Sr1.2Zr3
  • Published Formula: Na15(M1)6(M2)3Zr3(M3)(Si25O72)(O,OH,H2O)3X2
  • Refined Formula: Ba0.06Ca6.78Ce0.12Cl0.86Fe1.06H1.14K0.30Mn1.43Na11.67Nb0.72O76.02Si25.37Sr1.32Ti0.33Y0.06Zr2.58
  • Wyckoff Sequence: 160,c9b27a12
  • Z Formula Units: 3
  • Density: ρ = 2.89 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906904

  • 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

    Citation copied