Inorganic Solid Phases

Al1.94Fe0.06Be3Si6O18(Na0.02·0.28H2O) (Na0.02Be3Fe0.06Al1.94Si6O18[H2O]0.28) Crystal Structure

General Information

  • Phase Label(s): Na0.02Be3Fe0.06Al1.94Si6O18[H2O]0.28
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): beryl
  • Pearson Symbol: hP60
  • Space Group: 192
  • Phase Prototype: Be3Al2Si6O18[H2O]0.1
  • Measurement Detail(s): automatic diffractometer; 35 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 29 variables; 415 reflections; I > 3σ(I), R = 0.022; wR = 0.022
  • Sample Detail(s): aquamarine sample from Brazil, Minas Gerais, Governador Valadares, electron microprobe analysis, thermogravimetry; 65.41 wt.% GeO2, 17.94 wt.% Al2O3, 0.77 wt.% FeO, 0.09 wt.% Na2O, 13.62 wt.% BeO, 0.90 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.10×0.12×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.02Be3Fe0.06Al1.94Si6O18[H2O]0.28
  • Alphabetic Formula: Al1.94Be3Fe0.06[H2O]0.28Na0.02O18Si6
  • Published Formula: Al1.94Fe0.06Be3Si6O18(Na0.02·0.28H2O)
  • Refined Formula: Al1.97Be3Fe0.03H0.97Na0.02O18.49Si6
  • Wyckoff Sequence: 192,ml2fca
  • Z Formula Units: 2
  • 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_1617004

  • 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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