Inorganic Solid Phases

Na4Bi(SO4)3Cl (Na4Bi[SO4]3Cl) Crystal Structure

General Information

  • Phase Label(s): Na4Bi[SO4]3Cl
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): aiolosite
  • Pearson Symbol: hP44
  • Space Group: 176
  • Phase Prototype: Sr5Cu[VO4]3O
  • Measurement Detail(s): automatic 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)
  • Phase Class(es):
  • Compound Class(es): sulfate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 44 variables; 441 reflections; I > 2σ(I), R = 0.0480; wR = 0.1095
  • Sample Detail(s): aiolosite sample from Italy, Aeolian Islands, Vulcano, La Fossa Crater, electron microprobe analysis; Na2(Na1.95K0.12Bi3+0.83)S3.06O12.08[Cl0.67Br0.06[H2O]0.19], single crystal (determination of cell parameters), single crystal, 0.02×0.02×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4Bi[SO4]3Cl
  • Alphabetic Formula: BiClNa4[SO4]3
  • Published Formula: Na4Bi(SO4)3Cl
  • Refined Formula: Bi0.86Cl0.81H0.38Na4.14O12.19S3
  • Wyckoff Sequence: 176,ih4fba
  • Z Formula Units: 2
  • Density: ρ = 3.76 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]

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_1224848

  • 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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