Inorganic Solid Phases

(Mg,Fe)7Si8O22(OH)2 (Ca0.08Mg3.45Fe3.27Al0.03Si7.98O22[OH]2 rt) Crystal Structure

General Information

  • Phase Label(s): Ca0.08Mg3.45Fe3.27Al0.03Si7.98O22[OH]2 rt
  • 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 (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, 1412 reflections; I > 3σ(I), R = 0.031; wR = 0.039
  • Sample Detail(s): cummingtonite sample from (U.S.A. Washington D.C., Smithsonian Institution), electron microprobe analysis, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.08Mg4.3Fe2.6Al0.01Si8O22[OH]2
  • Alphabetic Formula: Al0.01Ca0.08Fe2.6Mg4.3O22[OH]2Si8
  • Published Formula: (Mg,Fe)7Si8O22(OH)2
  • Refined Formula: Al0.01Ca0.09Fe2.56Mg4.34O24Si8
  • Wyckoff Sequence: 12,j7i2h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.21 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_1617418

  • 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