Inorganic Solid Phases

Ca8(Fe2+0.88Mg0.68Fe3+0.77Al1.66)(Al5.67Fe3+2.34)Si12O42.41(OH)13.59 (Ca2Mg0.3Fe0.6Al2.1Si3O10.5[OH]3.5) Crystal Structure

General Information

  • Phase Label(s): Ca2Mg0.3Fe0.6Al2.1Si3O10.5[OH]3.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pumpellyite-(Fe2+)/pumpellyite-(Fe3+)
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Ca2(Mg0.1Mn0.15Al0.75)3Si3O11[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RINT (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0607; wRP = 0.0793; RB = 0.0355
  • Sample Detail(s): pumpellyite sample from Japan, Shimane Prefecture, Mitsu, electron microprobe analysis; Ca8(Fe2+0.88Mg0.68Fe3+0.77Al1.66)(Al5.67Fe3+2.34)Si12O42.41[OH]13.59, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Mg0.2FeAl1.8Si3O10.6[OH]3.4
  • Alphabetic Formula: Al1.8Ca2FeMg0.2O10.6[OH]3.4Si3
  • Published Formula: Ca8(Fe2+0.88Mg0.68Fe3+0.77Al1.66)(Al5.67Fe3+2.34)Si12O42.41(OH)13.59
  • Refined Formula: Al1.83Ca2FeH4Mg0.17O14Si3
  • Wyckoff Sequence: 12,j4i13f
  • Z Formula Units: 4
  • Density: ρ = 3.31 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_1213835

  • 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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