Inorganic Solid Phases

(Mg2.09Al1.92Fe3+0.110.88)(Si7.80Al0.20)O20(OH)2·(Ca0.01Na0.01)(H2O)4; ~ 4 zeolitic H2O (Na0.01Ca0.01Mg2.04Fe0.11Al2.12Si7.8O20[OH]2[H2O]8 rt, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Na0.01Ca0.01Mg2.04Fe0.11Al2.12Si7.8O20[OH]2[H2O]8 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): palygorskite M
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: Na0.01Ca0.01Mg2.04Fe0.11Al2.12Si7.8O20[OH]2[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7B (determination of structural parameters), X-rays, synchrotron; λ = 0.09492 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined; temperature dependence studied, Rietveld refinement; 75 variables, RP = 0.022
  • Sample Detail(s): palygorskite sample from North Korea, Yulu River, electron microprobe analysis; (Mg2.09Al1.92Fe3+0.110.88)(Si7.80Al0.20)O20[OH]2(Ca0.01Na0.01)[H2O]4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.01Ca0.01Mg2.04Fe0.11Al2.12Si7.8O20[OH]2[H2O]8
  • Alphabetic Formula: Al2.12Ca0.01Fe0.11[H2O]8Mg2.04Na0.01O20[OH]2Si7.8
  • Published Formula: (Mg2.09Al1.92Fe3+0.110.88)(Si7.80Al0.20)O20(OH)2·(Ca0.01Na0.01)(H2O)4; ~ 4 zeolitic H2O
  • Refined Formula: Al2.20H18.04Mg2.14O30.32Si7.80
  • Wyckoff Sequence: 12,j8i3hgfa
  • Z Formula Units: 2
  • Density: ρ = 2.33 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221535

  • 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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