Inorganic Solid Phases

W8X4Y8Z12O56−n[OH]n, W= Ca, Z= Si, (X,Y)= Al, Fe, Mg (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): Weissenberg photographs; 69 (determination of cell parameters), Weissenberg photographs; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), Photon Factory, BL-4B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.1000 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 113 reflections, R = 0.086; wR = 0.083
  • Sample Detail(s): pumpellyite-(Fe) sample from Japan, Yamanashi Prefecture, Nishiyatsushiro-gun, Shimobe-cho, Iwakake, sample prepared from pumpellyite-(Fe), electron microprobe analysis; Si12.37Ti0.01Al8.73Fe2.39Mn0.01Mg0.83Ca7.65Na0.01K0.01O56−n[OH]n, single crystal (determination of cell parameters), single crystal, 0.002×0.008×0.020 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Mg0.21Fe0.6Al2.19Si3O11[OH]2.79[H2O]0.21
  • Alphabetic Formula: Al2.19Ca2Fe0.6[H2O]0.21Mg0.21O11[OH]2.79Si3
  • Published Formula: W8X4Y8Z12O56−n[OH]n, W= Ca, Z= Si, (X,Y)= Al, Fe, Mg
  • Refined Formula: Al2.40Ca2Fe0.60O14Si3
  • Wyckoff Sequence: 12,j4i13f
  • Z Formula Units: 4
  • Density: ρ = 3.24 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1720297

  • 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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