Inorganic Solid Phases

(Cs,K,Rb)Al4Be5B12O28 (Cs0.4Rb0.2K0.4Be5Al4B11O28, T = 20 K) Crystal Structure

General Information

  • Phase Label(s): Cs0.4Rb0.2K0.4Be5Al4B11O28
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): londonite
  • Pearson Symbol: cP49
  • Space Group: 215
  • Phase Prototype: CsBe4Al4B12O28
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D9 (determination of structural parameters), neutrons; λ = 0.07028(1) nm (determination of cell and structural parameters), T = 20 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement on F2; 20 variables; 347 reflections, R = 0.0578; wR = 0.0881
  • Sample Detail(s): londonite sample from Madagascar (Malagasy Republic), Betafo district, Antsongombato Gem mine, electron microprobe analysis, inductive coupled plasma method; Si0.014B11.15Be4.82Al3.82Fe3+0.02Li0.05Ca0.04Na0.02K0.34Rb0.15Cs0.36O28, single crystal (determination of cell parameters), single crystal, 1.5×2×2.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.4Rb0.2K0.4Be5Al4B11O28
  • Alphabetic Formula: Al4B11Be5Cs0.4K0.4O28Rb0.2
  • Published Formula: (Cs,K,Rb)Al4Be5B12O28
  • Refined Formula: Al4B10.68Be5.32Cs0.34K0.34O28Rb0.17
  • Wyckoff Sequence: 215,i2he3a
  • Z Formula Units: 1
  • Density: ρ = 3.43 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_1224975

  • 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

    Citation copied