Inorganic Solid Phases

[W(I),W(II),Cs,K,☐][Na,Ca,Mg,Fe,☐][Al][Be,Li,Al][Si,Al]O18 (Cs0.1K0.05Na0.2Li0.4Be2.6Al2.1Si5.9O18[H2O]0.5) Crystal Structure

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General Information

  • Phase Label(s): Cs0.1K0.05Na0.2Li0.4Be2.6Al2.1Si5.9O18[H2O]0.5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): beryl
  • Pearson Symbol: hP62
  • Space Group: 192
  • Phase Prototype: (Cs0.15[H2O]0.7)Na0.35(Li0.1Be0.9)3Si6Al2O18
  • Measurement Detail(s): automatic diffractometer; 28 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 297 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, least-squares refinement; 31 variables; 395 reflections, R = 0.050; wR = 0.049
  • Sample Detail(s): beryl sample from U.S.A. New Mexico, Harding, chemical analysis; 62.88 wt.% SiO2, 11.43 wt.% BeO, 18.92 wt.% Al2O3, 1.13 wt.% Na2O, 2.21 wt.% Cs2O et al., single crystal (determination of cell parameters), single crystal, 0.12×0.12×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.1K0.05Na0.2Li0.4Be2.6Al2.1Si5.9O18[H2O]0.5
  • Alphabetic Formula: Al2.1Be2.6Cs0.1[H2O]0.5K0.05Li0.4Na0.2O18Si5.9
  • Published Formula: [W(I),W(II),Cs,K,☐][Na,Ca,Mg,Fe,☐][Al][Be,Li,Al][Si,Al]O18
  • Refined Formula: Al2.06Be2.61Cs0.11H1.05K0.07Li0.39Na0.21O18.52Si5.94
  • Wyckoff Sequence: 192,ml2fcba
  • Z Formula Units: 2
  • Density: ρ = 2.75 Mg·m−3
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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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616117

  • 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)

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