Inorganic Solid Phases

(Ca0.418Na0.582)(Al0.026Mg0.402Fe2+0.003Ti4+0.001Cr3+0.165V3+0.403)(Si1.986Al0.014)O6 (Na0.582Ca0.418Mg0.402Ti0.001V0.403Cr0.165Fe0.003Al0.04Si1.986O6) Crystal Structure

General Information

  • Phase Label(s): Na0.582Ca0.418Mg0.402Ti0.001V0.403Cr0.165Fe0.003Al0.04Si1.986O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): diopside/natalyite
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer; 30 (determination of cell parameters), automatic diffractometer; Siemens AED2 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2, R = 0.023; wR = 0.037
  • Sample Detail(s): clinopyroxene sample from Russia, Lake Baikal, Slyudyanka, electron microprobe analysis; (Ca0.418Na0.582)(Al0.026Mg0.402Fe2+0.003Ti4+0.001Cr3+0.165V3+0.403)(Si1.986Al0.014)O6, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.582Ca0.418Mg0.402Ti0.001V0.403Cr0.165Fe0.003Al0.04Si1.986O6
  • Alphabetic Formula: Al0.04Ca0.418Cr0.165Fe0.003Mg0.402Na0.582O6Si1.986Ti0.001V0.403
  • Published Formula: (Ca0.418Na0.582)(Al0.026Mg0.402Fe2+0.003Ti4+0.001Cr3+0.165V3+0.403)(Si1.986Al0.014)O6
  • Refined Formula: Al0.04Ca0.42Cr0.17Fe0Mg0.40Na0.58O6Si1.99Ti0V0.40
  • Wyckoff Sequence: 15,f4e2
  • Z Formula Units: 4
  • Density: ρ = 3.42 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1230226

  • 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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