Inorganic Solid Phases

Na15(M1)6(M2)3Zr3(M3)(Si25O72)(O,OH,H2O)3X2 (Na14.5Ca3.7Ce0.9Zr3Nb0.7Mn3.9FeSi25.3O74[OH]3.1[H2O]0.9) Crystal Structure

General Information

  • Phase Label(s): Na14.5Ca3.7Ce0.9Zr3Nb0.7Mn3.9FeSi25.3O74[OH]3.1[H2O]0.9
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): kentbrooksite
  • Pearson Symbol: hR450
  • Space Group: 160
  • Phase Prototype: Na14.5Ca3.7Ce0.9Zr3Nb0.7Mn3.9FeSi25.3O74[OH]3.1[H2O]0.9
  • 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, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 426 variables; 3803 reflections, R = 0.032; wR = 0.072
  • Sample Detail(s): oneillite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; K0.20Na15.03Sr0.03Ca1.77REE2.12Zr3.18Hf0.03Nb0.90Ta0.02Fe1.43Mn3.72Y0.24Al0.12Si24.77Cl0.73O75.59[OH]1.14[H2O]0.63, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Na14.0Ca1.8Ce2.3Zr3.2Nb0.9Mn3.7Fe1.4Si25O75[OH]2
  • Alphabetic Formula: Ca1.8Ce2.3Fe1.4Mn3.7Na14.0Nb0.9O75[OH]2Si25Zr3.2
  • Published Formula: Na15(M1)6(M2)3Zr3(M3)(Si25O72)(O,OH,H2O)3X2
  • Refined Formula: Ca1.77Ce2.04Cl0.73Fe1.41H1.27K0.19Mn3.70Na13.59Nb0.92O76.78Si25Y0.25Zr3.19
  • Wyckoff Sequence: 146,b45a11
  • Z Formula Units: 3
  • Density: ρ = 3.15 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906898

  • 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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