Inorganic Solid Phases

[Na,(H3O)]15[Ca3Mn3]Na3Zr3(Si,Ti)[Si25O72OH](OH)2·2H2O (Na15[H3O]3Ca3Zr2.6Ti0.5Nb0.4Mn3Si25.5O72[OH]3[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Na15[H3O]3Ca3Zr2.6Ti0.5Nb0.4Mn3Si25.5O72[OH]3[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR585
  • Space Group: 146
  • Phase Prototype: Na15[H3O]3Ca3Zr2.6Ti0.5Nb0.4Mn3Si25.5O72[OH]3[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (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; 2688 reflections; F > 7σ(F), R = 0.0376
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Lovozero massif, Mt. Alluaiv, chemical analysis; Na13−15[H3O]xK0.1REE0.6−0.7Ca4.1−4.3Mn1.6−1.8Fe0.5−0.6Zr2.55−2.7Ti0.3−0.45Nb0.3−0.4Si25.7[SO4]0.4Cl0.2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na15[H3O]3Ca3Zr2.6Ti0.5Nb0.4Mn3Si25.5O72[OH]3[H2O]2
  • Alphabetic Formula: Ca3[H2O]2[H3O]3Mn3Na15Nb0.4O72[OH]3Si25.5Ti0.5Zr2.6
  • Published Formula: [Na,(H3O)]15[Ca3Mn3]Na3Zr3(Si,Ti)[Si25O72OH](OH)2·2H2O
  • Refined Formula: Ca4.20Cl0.20Fe0.60H19.15Hf0.07K0.10La0.59Mn1.80Na13.58Nb0.39O81.44S0.19Si25.26Ti0.48Zr2.61
  • Wyckoff Sequence: 146,b60a15
  • Z Formula Units: 3
  • Density: ρ = 2.76 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_1931528

  • 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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