Inorganic Solid Phases

[Na8.51Ce0.11][Ca1.8Na0.96K0.24][Ca2.25Na0.75]Ca6Zr3Fe1.05[Mn0.3Fe0.18]Fe0.78… (Na10.4Ca10Zr3Nb0.4Mn0.3Fe2Si24.7[CO3]0.9O72[OH]2[H2O]1.2) Crystal Structure

General Information

  • Phase Label(s): Na10.4Ca10Zr3Nb0.4Mn0.3Fe2Si24.7[CO3]0.9O72[OH]2[H2O]1.2
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR531
  • Space Group: 160
  • Phase Prototype: Na10.4Ca10Zr3Nb0.4Mn0.3Fe2Si24.7[CO3]0.9O72[OH]2[H2O]1.2
  • 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): carbonate, hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; F > 3σ(F), R = 0.031; wR = 0.044
  • Sample Detail(s): eudialyte sample from Russia, Kola Peninsula, Kovdor massif, electron microprobe analysis; CO2 detected by chemical analysis, single crystal (determination of cell parameters), single crystal, 0.2×0.25×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na10.4Ca10Zr3Nb0.4Mn0.3Fe2Si24.7[CO3]0.9O72[OH]2[H2O]1.2
  • Alphabetic Formula: [CO3]0.9Ca10Fe2[H2O]1.2Mn0.3Na10.4Nb0.4O72[OH]2Si24.7Zr3
  • Published Formula: [Na8.51Ce0.11][Ca1.8Na0.96K0.24][Ca2.25Na0.75]Ca6Zr3Fe1.05[Mn0.3Fe0.18]Fe0.78
  • Refined Formula: C0.94Ca10.02Ce0.10Cl0.49Fe2.04H3.82K0.24Mn0.30Na10.19Nb0.41O78.10Si24.71Ti0.10Zr3
  • Wyckoff Sequence: 160,c9b37a12
  • Z Formula Units: 3
  • Density: ρ = 2.85 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_1521049

  • 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