Inorganic Solid Phases

(Ca1.99Na0.01)(Al0.42Fe2+0.33Mg0.24Mn0.01)Al2.00(SiO4)(Si2O7)(OH)2.42·0.58H2O (Na0.01Ca1.99Mg0.24Mn0.01Fe0.33Al2.42Si3O11[OH]2.41[H2O]0.59) Crystal Structure

General Information

  • Phase Label(s): Na0.01Ca1.99Mg0.24Mn0.01Fe0.33Al2.42Si3O11[OH]2.41[H2O]0.59
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pumpellyite-(Al)
  • 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; Bruker AXS D8 (determination of structural parameters), X-rays, Fe Kα; λ = 0.19373 nm (determination of cell parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.0205; RB = 0.0709
  • Sample Detail(s): pumpellyite sample from Belgium, Ardennes, Bertrix, electron microprobe analysis; (Ca1.99Na0.01)(Al0.42Fe2+0.33Mg0.24Mn0.01)Al2.00[SiO4][Si2O7][OH]2.42[H2O]0.58, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.01Ca1.99Mg0.24Mn0.01Fe0.33Al2.42Si3O11[OH]2.41[H2O]0.59
  • Alphabetic Formula: Al2.42Ca1.99Fe0.33[H2O]0.59Mg0.24Mn0.01Na0.01O11[OH]2.41Si3
  • Published Formula: (Ca1.99Na0.01)(Al0.42Fe2+0.33Mg0.24Mn0.01)Al2.00(SiO4)(Si2O7)(OH)2.42·0.58H2O
  • Refined Formula: Al2.75Ca2Fe0.13Mg0.13O14Si3
  • 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

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [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_1218215

  • 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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