Inorganic Solid Phases

(NH4)4NaAl2(SO4)4Cl(OH)2 (Na[NH4]4Al2[SO4]4Cl[OH]2) Crystal Structure

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General Information

  • Phase Label(s): Na[NH4]4Al2[SO4]4Cl[OH]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): adranosite
  • Pearson Symbol: tI240
  • Space Group: 142
  • Phase Prototype: Na[NH4]4Al2[SO4]4Cl[OH]2
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, sulfate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 88 variables; 596 reflections; I > 2σ(I), R = 0.0355; wR = 0.0575
  • Sample Detail(s): adranosite sample from Italy, Aeolian Islands, Vulcano, La Fossa Crater, energy-dispersive X-ray analysis; ([NH4]3.89K0.12)Na1.16Al2.09S3.93O15.99Cl0.98[OH]2.03, single crystal (determination of cell parameters), single crystal, 0.012×0.018×0.175 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na[NH4]4Al2[SO4]4Cl[OH]2
  • Alphabetic Formula: Al2Cl[NH4]4Na[OH]2[SO4]4
  • Published Formula: (NH4)4NaAl2(SO4)4Cl(OH)2
  • Refined Formula: Al2ClH18N4NaO18S4
  • Wyckoff Sequence: 142,g6feba
  • Z Formula Units: 8
  • Density: ρ = 2.16 Mg·m−3
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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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [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_1225070

  • 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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