Inorganic Solid Phases

(Al1.68Mg0.31Fe0.01)(Be2.68Si0.02Al0.26)Si6.00O18·Cs0.07 (Cs0.07Mg0.31Be2.68Fe0.01Al1.94Si6.02O18) Crystal Structure

General Information

  • Phase Label(s): Cs0.07Mg0.31Be2.68Fe0.01Al1.94Si6.02O18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP60
  • Space Group: 192
  • Phase Prototype: Be3Al2Si6O18[H2O]0.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F; 28 variables; 299 reflections; I > 2σ(I), R = 0.018; wR = 0.019
  • Sample Detail(s): sample prepared from beryl Al1.94Fe0.07Ti0.01Be3.20Si5.87O18(Na0.04Li0.07), MgF2, CaCl2, CsCl, electron microprobe analysis; (Al1.73Mg0.27)(Be2.73Al0.14Si6.07)O18·Cs0.12; amounts of (Mg1.90Fe0.10)(Be1.02Al1.98)(Al0.18Si5.82)O18·Na0.02Cs0.16, single crystal (determination of cell parameters), single crystal, 0.25×0.3×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.07Mg0.31Be2.68Fe0.01Al1.94Si6.02O18
  • Alphabetic Formula: Al1.94Be2.68Cs0.07Fe0.01Mg0.31O18Si6.02
  • Published Formula: (Al1.68Mg0.31Fe0.01)(Be2.68Si0.02Al0.26)Si6.00O18·Cs0.07
  • Refined Formula: Al1.94Be2.68Cs0.07Fe0.01Mg0.31O18Si6.02
  • Wyckoff Sequence: 192,ml2fca
  • Z Formula Units: 2
  • Density: ρ = 2.69 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_1719740

  • 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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