Inorganic Solid Phases

Si5.993Ti0.001Al1.449Sc0.001Be3.000Mg0.271Fe0.376Na0.371O18[H2O]x (Na0.37Mg0.27Be3Fe0.37Al1.4Si6O18[H2O]0.9, T = 20 K) Crystal Structure

General Information

  • Phase Label(s): Na0.37Mg0.27Be3Fe0.37Al1.4Si6O18[H2O]0.9
  • 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 (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, SCD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 20 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 38 variables; 892 reflections, R = 0.0669; wR = 0.1113
  • Sample Detail(s): beryl sample from Canada, Yukon, True Blue showing, electron microprobe analysis; Si5.993Ti0.001Al1.449Sc0.001Be3.000Mg0.271Fe0.376Na0.371 based on 18 O atoms, single crystal (determination of cell parameters), single crystal, 2.00×2.00×3.00 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.37Mg0.27Be3Fe0.37Al1.4Si6O18[H2O]0.9
  • Alphabetic Formula: Al1.4Be3Fe0.37[H2O]0.9Mg0.27Na0.37O18Si6
  • Published Formula: Si5.993Ti0.001Al1.449Sc0.001Be3.000Mg0.271Fe0.376Na0.371O18[H2O]x
  • Refined Formula: Al1.39Be3Fe0.35H1.82Mg0.26Na0.43O18.91Si6
  • Wyckoff Sequence: 192,ml2fcba
  • Z Formula Units: 2
  • Density: ρ = 2.80 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225079

  • 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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