Inorganic Solid Phases

Na0.2Ca0.8Al3.9Si2.1O11[OH] Crystal Structure

General Information

  • Phase Label(s): Na0.2Ca0.8Al3.9Si2.1O11[OH]
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): margarite
  • Pearson Symbol: mS76
  • Space Group: 9
  • Phase Prototype: (Na0.2Ca0.8)Al2(Al0.48Si0.52)4O11[OH]
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 76 variables; 1071 reflections; I > 2σ(I), R = 0.075; wR = 0.095
  • Sample Detail(s): margarite sample from U.S.A. Pennsylvania, Corundum Hill, electron microprobe analysis; 31.58 wt.% SiO2, 49.29 wt.% Al2O3, 11.35 wt.% CaO, 1.46 wt.% Na2O et al., single crystal (determination of cell parameters), single crystal, 0.02×0.30×0.32 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.2Ca0.8Al3.9Si2.1O11[OH]
  • Alphabetic Formula: Al3.9Ca0.8Na0.2O11[OH]Si2.1
  • Published Formula: Na0.2Ca0.8Al3.9Si2.1O11[OH]
  • Refined Formula: Al3.88Ca0.80HNa0.20O12Si2.12
  • Wyckoff Sequence: 9,a19
  • Z Formula Units: 4
  • Density: ρ = 3.05 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_1615821

  • 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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