Inorganic Solid Phases

Na0.63Ca1.37BeSi1.87Al0.13O6.25F0.75 (Na2.52Ca5.48Be4Al0.52Si7.48O25F3) Crystal Structure

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General Information

  • Phase Label(s): Na2.52Ca5.48Be4Al0.52Si7.48O25F3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): meliphanite
  • Pearson Symbol: tI96
  • Space Group: 82
  • Phase Prototype: (Na0.63Ca0.37)4Ca4Be4(Al0.52Si0.48)Si7O24(O0.25F0.75)4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), diffractometer and Weissenberg photographs; Nonius (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.104
  • Sample Detail(s): meliphanite sample from Norway, Brevig, chemical analysis, single crystal (determination of cell parameters), single crystal, 0.023×0.027×0.030 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.52Ca5.48Be4Al0.52Si7.48O25F3
  • Alphabetic Formula: Al0.52Be4Ca5.48F3Na2.52O25Si7.48
  • Published Formula: Na0.63Ca1.37BeSi1.87Al0.13O6.25F0.75
  • Refined Formula: Al0.52Be4Ca5.48F3Na2.52O25Si7.48
  • Wyckoff Sequence: 82,g11fba
  • Z Formula Units: 2
  • Density: ρ = 3.02 Mg·m−3
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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_1401396

  • 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)

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