Inorganic Solid Phases

NaCa2Mg4CrSi6Al2O22(OH)2 (NaCa2Mg4CrAl2Si6O22[OH]2) Crystal Structure

General Information

  • Phase Label(s): NaCa2Mg4CrAl2Si6O22[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chromio-pargasite
  • Pearson Symbol: mS80
  • Space Group: 12
  • Phase Prototype: NaCa2Mg2(Mg0.67Sc0.33)3(Al0.25Si0.75)8O22[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 5055 reflections; I > 2σ(I), R = 0.0488
  • Sample Detail(s): ehimeite sample from Japan, Ehime Prefecture, Higashi-Akaishi Mountain, Akaishi mine, sample prepared from ehimeite, energy-dispersive X-ray analysis; (Na0.88K0.07)(Ca1.89Na0.02Mg0.09)(Mg4.03Cr0.62Al0.19Fe3+0.07Fe2+0.07Ti0.03)(Si6.41Al1.86)O22(OH)2, single crystal (determination of cell parameters), single crystal, 0.03×0.08×0.41 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCa2Mg4CrAl2Si6O22[OH]2
  • Alphabetic Formula: Al2Ca2CrMg4NaO22[OH]2Si6
  • Published Formula: NaCa2Mg4CrSi6Al2O22(OH)2
  • Refined Formula: Al2.06Ca1.88Cr0.60Fe0.14H2K0.07Mg4.06NaO24Si6.12Ti0.02
  • Wyckoff Sequence: 12,j7i2h2gba
  • 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1720681

  • 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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