Inorganic Solid Phases

(Na0.626K0.302)(Ca0.996)2(Mg0.631Fe0.215Al0.107Ti0.015Mn0.002)5(Si0.767Al0.233)8O22(O0.56−x(OH)xF0.42)2 (Na0.9Ca2.0Mg3.2Ti0.1Fe1.1Al2.3Si6.1O22.3[OH]0.9F0.8) Crystal Structure

General Information

  • Phase Label(s): Na0.9Ca2.0Mg3.2Ti0.1Fe1.1Al2.3Si6.1O22.3[OH]0.9F0.8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pargasite
  • Pearson Symbol: mS82
  • Space Group: 12
  • Phase Prototype: NaCa2Mg3(Mg0.5Al0.5)2(Al0.25Si0.75)8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement
  • Sample Detail(s): pargasite sample from Finland, Pargas, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.17×0.17×0.23 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.9Ca2.0Mg3.2Ti0.1Fe1.1Al2.3Si6.1O22.3[OH]0.9F0.8
  • Alphabetic Formula: Al2.3Ca2.0F0.8Fe1.1Mg3.2Na0.9O22.3[OH]0.9Si6.1Ti0.1
  • Published Formula: (Na0.626K0.302)(Ca0.996)2(Mg0.631Fe0.215Al0.107Ti0.015Mn0.002)5(Si0.767Al0.233)8O22(O0.56−x(OH)xF0.42)2
  • Refined Formula: Al2.42Ca2F0.84Fe1.10H0.65K0.30Mg3.26Na0.63O23.16Si6.12Ti0.10
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.15 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_1816019

  • 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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