Inorganic Solid Phases

Na15(Ca3Mn3)Zr3(Fe,Zr)3(Si)(Si)[Si3O9]2[Si9O27]2O2(OH,F,Cl)2·2H2O (Na15.5Ca3Zr4.5Mn3Fe1.5Si25Cl0.5O74[OH]0.8F0.7[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Na15.5Ca3Zr4.5Mn3Fe1.5Si25Cl0.5O74[OH]0.8F0.7[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR*
  • Space Group: 146
  • Phase Prototype: *
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, fluoride, hydrate
  • Interpretation Detail(s): part of atom coordinates determined, least-squares refinement; F > 5σ(F), R = 0.054
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Lovozero massif, sample prepared from Na15(Ca3Mn3)Zr3(Fe,Zr)3(Si)(Si)[Si3O9]2[Si9O27]2O2(OH,F,Cl)2[H2O]2, electron microprobe analysis; Na13.98−14.22Ca2.93−2.99Ce0.26−0.28Sr0.285−0.36Y0.1−0.13K0.2Zr3.52−3.58Fe1.24−1.43Mn1.25−1.4Nb0.22−0.25Ti0.26−0.29Si24.49−24.91O72Cl0.9−0.96F0.56−0.68, single crystal (determination of cell parameters), single crystal, 0.2×0.3×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na15.5Ca3Zr4.5Mn3Fe1.5Si25Cl0.5O74[OH]0.8F0.7[H2O]2
  • Alphabetic Formula: Ca3Cl0.5F0.7Fe1.5[H2O]2Mn3Na15.5O74[OH]0.8Si25Zr4.5
  • Published Formula: Na15(Ca3Mn3)Zr3(Fe,Zr)3(Si)(Si)[Si3O9]2[Si9O27]2O2(OH,F,Cl)2·2H2O
  • Refined Formula:
  • Wyckoff Sequence: 146,b21a13
  • Z Formula Units: 3
  • Density: ρ = 2.94 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_1620688

  • 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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