Inorganic Solid Phases

Na15(M1)6(M2)3Zr3(M3)(Si25O72)(O,OH,H2O)3X2 (Na12Sr2.5Ca6.5Zr3W0.7Mn0.8Fe2.2Si25O75.5[OH]2.5) Crystal Structure

General Information

  • Phase Label(s): Na12Sr2.5Ca6.5Zr3W0.7Mn0.8Fe2.2Si25O75.5[OH]2.5
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): khomyakovite
  • Pearson Symbol: hR441
  • Space Group: 160
  • Phase Prototype: Na12Sr2.5Ca6.5Zr3W0.7Mn0.8Fe2.2Si25O74.2[OH]3.8
  • 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
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 282 variables; 3863 reflections, R = 0.032; wR = 0.072
  • Sample Detail(s): khomyakovite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; 43.70 wt.% SiO2, 10.62 wt.% ZrO2, 1.35 wt.% Nb2O5, 3.80 wt.% W, 4.33 wt.% FeO, 1.63 wt.% MnO, 10.42 wt.% CaO, 8.45 wt.% SrO, 11.35 wt.% Na2O, 0.67 wt.% Cl, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Na12Sr2.5Ca6.5Zr3W0.7Mn0.8Fe2.2Si25O75.5[OH]2.5
  • Alphabetic Formula: Ca6.5Fe2.2Mn0.8Na12O75.5[OH]2.5Si25Sr2.5W0.7Zr3
  • Published Formula: Na15(M1)6(M2)3Zr3(M3)(Si25O72)(O,OH,H2O)3X2
  • Refined Formula: Ca6.39Ce0.06Cl0.64Fe2.08H1.28K0.39Mn0.80Na11.22Nb0.31O77Si25.04Sr2.76W0.52Zr2.97
  • Wyckoff Sequence: 160,c9b28a9
  • Z Formula Units: 3
  • Density: ρ = 3.07 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_1906899

  • 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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