Inorganic Solid Phases

Be3.0(Al1.3Fe0.3Mg0.4)Si6.0O18[Na0.45(H2O)0.95] (Na0.4Mg0.4Be3Fe0.3Al1.3Si6O18[H2O]0.95) Crystal Structure

General Information

  • Phase Label(s): Na0.4Mg0.4Be3Fe0.3Al1.3Si6O18[H2O]0.95
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): stoppaniite
  • 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 structural parameters), X-rays (determination of cell parameters), neutrons, time-of-flight (determination of structural parameters), T = 293 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 37 variables; 682 reflections; I > 5σ(I), R = 0.030; wR = 0.039
  • Sample Detail(s): beryl sample from, electron microprobe analysis; Al/Fe/Mg ratio 0.63/0.16/0.21, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.45Mg0.4Be3Fe0.3Al1.3Si6O18[H2O]0.95
  • Alphabetic Formula: Al1.3Be3Fe0.3[H2O]0.95Mg0.4Na0.45O18Si6
  • Published Formula: Be3.0(Al1.3Fe0.3Mg0.4)Si6.0O18[Na0.45(H2O)0.95]
  • Refined Formula: Al1.26Be3Fe0.32H1.04Mg0.42Na0.44O19Si6
  • Wyckoff Sequence: 192,ml2fcba
  • Z Formula Units: 2
  • Density: ρ = 2.77 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_1614404

  • 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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