Inorganic Solid Phases

(H3O)9Na2(K,Ba,Sr)2Ca6Zr3[Si26O66(OH)6](OH)3Cl·H2O (K1.22Na2[H3O]9Ba0.43Sr0.46Ca6Zr3Si26ClO66[OH]9[H2O]) Crystal Structure

General Information

  • Phase Label(s): K1.22Na2[H3O]9Ba0.43Sr0.46Ca6Zr3Si26ClO66[OH]9[H2O]
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): eudialyte
  • Pearson Symbol: hR459
  • Space Group: 146
  • Phase Prototype: K1.22Na2[H3O]9Ba0.43Sr0.46Ca6Zr3Si26ClO66[OH]9[H2O]
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 60 variables; 1734 reflections; F > 4σ(F), R = 0.055
  • Sample Detail(s): eudialyte sample from Russia, Sakha (Yakutia), Inagli massif, chemical analysis; Na2.74K1.20Sr0.49Ba0.46Ca5.79REE0.19Fe0.23Mn0.12Zr2.92Ti0.29Nb0.03Al0.19Si25.57O66.6Cl1.23[H2O]16, single crystal, 0.15×0.2×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.22Na2[H3O]9Ba0.43Sr0.46Ca6Zr3Si26ClO66[OH]9[H2O]
  • Alphabetic Formula: Ba0.43Ca6Cl[H2O][H3O]9K1.22Na2O66[OH]9Si26Sr0.46Zr3
  • Published Formula: (H3O)9Na2(K,Ba,Sr)2Ca6Zr3[Si26O66(OH)6](OH)3Cl·H2O
  • Refined Formula: Al0.22Ba0.54Ca5.88Ce0.18Cl1.29Fe0.22H31.64K1.20Mn0.11Na2.93Nb0.03O84.92S0.20Si23.05Sr0.45Ti0.25Zr3
  • Wyckoff Sequence: 146,b47a12
  • Z Formula Units: 3
  • Density: ρ = 2.67 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_1023652

  • 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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