Inorganic Solid Phases

Na1.3Ca1.48Mg3.68Ti0.11Cr0.27Fe0.74Al1.93Si6.44O22[OH]2 Crystal Structure

General Information

  • Phase Label(s): Na1.3Ca1.48Mg3.68Ti0.11Cr0.27Fe0.74Al1.93Si6.44O22[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pargasite
  • Pearson Symbol: mS90
  • Space Group: 12
  • Phase Prototype: Na0.86Ca2.04Mg0.16(Mg0.85Al0.15)5(Al0.26Si0.74)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
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1122 reflections, R = 0.015
  • Sample Detail(s): pargasite sample from, electron microprobe analysis; 44.58 wt.% SiO2, 11.29 wt.% Al2O3, 0.98 wt.% TiO2, 2.40 wt.% Cr2O3, 0.80 wt.% Fe2O3, 4.48 wt.% FeO, 0.07 wt.% MnO, 17.57 wt.% MgO, 9.50 wt.% CaO, 3.97 wt.% Na2O, 0.95 wt.% K2O, 0.15 wt.% F, 1.99 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.3Ca1.48Mg3.68Ti0.11Cr0.27Fe0.74Al1.93Si6.44O22[OH]2
  • Alphabetic Formula: Al1.93Ca1.48Cr0.27Fe0.74Mg3.68Na1.3O22[OH]2Si6.44Ti0.11
  • Published Formula: Na1.3Ca1.48Mg3.68Ti0.11Cr0.27Fe0.74Al1.93Si6.44O22[OH]2
  • Refined Formula: Al1.93Ca1.48Cr0.27Fe0.74H2Mg3.68Na1.30O24Si6.44Ti0.11
  • Wyckoff Sequence: 12,j7i3h3g2a
  • Z Formula Units: 2
  • Density: ρ = 3.14 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_1013911

  • 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