Inorganic Solid Phases

[Ca0.36Na0.06][Al0.01Mg5.57Fe2+0.01Mn0.96]Si8.02O23 (Na0.13Ca0.41Mg5.33Mn1.13Si8O22[OH]2 ht) Crystal Structure

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General Information

  • Phase Label(s): Na0.13Ca0.41Mg5.33Mn1.13Si8O22[OH]2 ht
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): cummingtonite
  • Pearson Symbol: mS78
  • Space Group: 12
  • Phase Prototype: (Mg0.6Fe0.4)7Si8O22[OH]2
  • Measurement Detail(s): automatic diffractometer; 4-circle (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1860 reflections; I > 0σ(I), R = 0.055
  • Sample Detail(s): cummingtonite sample from U.S.A. New York, St. Lawrence County, Gouverneur district, single crystal, 0.04×0.09×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.1Ca0.4Mg5.55MnSi8O22[OH]2
  • Alphabetic Formula: Ca0.4Mg5.55MnNa0.1O22[OH]2Si8
  • Published Formula: [Ca0.36Na0.06][Al0.01Mg5.57Fe2+0.01Mn0.96]Si8.02O23
  • Refined Formula: Ca0.38Fe0.02H2Mg5.56Mn0.98Na0.06O24Si8
  • Wyckoff Sequence: 11,f17e5
  • Z Formula Units: 2
  • Density: ρ = 3.06 Mg·m−3
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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_1715713

  • 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)

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