Inorganic Solid Phases

(Ca0.84Mg0.05Fe2+0.06Na0.05)2(Mg0.92Fe2+0.08)2(Mg0.92Fe2+0.03Al0.04Fe3+0.01)2(Mg0.81Fe2+0.12Al0.07)[(Si0.98Al0.01Fe3+0.01)4Si4]O22(OH)2 (Na1.96Ca0.04Mg2.39Fe0.79Al1.82Si8O22[OH]2) Crystal Structure

General Information

  • Phase Label(s): Na1.96Ca0.04Mg2.39Fe0.79Al1.82Si8O22[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): glaucophane
  • Pearson Symbol: mS78
  • Space Group: 12
  • Phase Prototype: (Mg0.6Fe0.4)7Si8O22[OH]2
  • Measurement Detail(s): automatic diffractometer (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; 546 reflections; I > 1.96σ(I), R = 0.039
  • Sample Detail(s): actinolite sample from Russia, Urals, sample prepared from actinolite, chemical analysis; Na0.15Ca1.71Mg4.65Fe0.57Al0.21Si7.82O22[OH]2.05, single crystal (determination of cell parameters), single crystal, 0.025×0.050×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.1Ca1.68Mg4.59Fe0.52Al0.19Si7.92O22[OH]2
  • Alphabetic Formula: Al0.19Ca1.68Fe0.52Mg4.59Na0.1O22[OH]2Si7.92
  • Published Formula: (Ca0.84Mg0.05Fe2+0.06Na0.05)2(Mg0.92Fe2+0.08)2(Mg0.92Fe2+0.03Al0.04Fe3+0.01)2(Mg0.81Fe2+0.12Al0.07)[(Si0.98Al0.01Fe3+0.01)4Si4]O22(OH)2
  • Refined Formula: Al0.19Ca1.68Fe0.52H2Mg4.59Na0.10O24Si7.92
  • Wyckoff Sequence: 12,j7i2h2ga
  • Z Formula Units: 2
  • Density: ρ = 2.98 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_1602882

  • 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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