Inorganic Solid Phases

Na22Ca9.8[(Al,Si)48O96][(SO4)5.3(CO3)Cl2(H2O)4] (Na20Ca9Al24Si24O96[SO4]5.3[CO3]0.7Cl2[H2O]4) Crystal Structure

General Information

  • Phase Label(s): Na20Ca9Al24Si24O96[SO4]5.3[CO3]0.7Cl2[H2O]4
  • Structure Class(es): zeolite AFG
  • Classification by Properties:
  • Mineral Name(s): afghanite
  • Pearson Symbol: hP250
  • Space Group: 186
  • Phase Prototype: Na20Ca9(Al0.5Si0.5)48[CO3]0.7[SO4]5.3Cl2O96[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, sulfate, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.069
  • Sample Detail(s): afghanite sample from Russia, Prebaikal (Pribaikale), chemical analysis; Na4.5Ca2.5K0.2Al6Si6O23.6[SO4]1.4[CO3]0.2Cl1.4[H2O]2.6, single crystal (determination of cell parameters), single crystal, 0.2 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na20Ca9Al24Si24[CO3]0.7[SO4]5.3Cl2O96[H2O]4
  • Alphabetic Formula: Al24[CO3]0.7Ca9Cl2[H2O]4Na20O96[SO4]5.3Si24
  • Published Formula: Na22Ca9.8[(Al,Si)48O96][(SO4)5.3(CO3)Cl2(H2O)4]
  • Refined Formula: Al24C0.67Ca9.80Cl2H8Na22.02O118.02S4.83Si24
  • Wyckoff Sequence: 186,d8c22b7a4
  • Z Formula Units: 1
  • Density: ρ = 2.40 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_1617355

  • 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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