Inorganic Solid Phases

Na21(SO4)7F6Cl (Na21[SO4]7ClF6) Crystal Structure

General Information

  • Phase Label(s): Na21[SO4]7ClF6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): schairerite
  • Pearson Symbol: hP189
  • Space Group: 157
  • Phase Prototype: Na21[SO4]7ClF6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, chloride, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; I > 3σ(I), R = 0.070
  • Sample Detail(s): schairerite sample from U.S.A. California, San Bernardino County, Searles Lake, single crystal (determination of cell parameters), powder, 0.68 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na21[SO4]7ClF6
  • Alphabetic Formula: ClF6Na21[SO4]7
  • Published Formula: Na21(SO4)7F6Cl
  • Refined Formula: ClF6Na21O28S7
  • Wyckoff Sequence: 157,d14c28b7a7
  • Z Formula Units: 3
  • Density: ρ = 2.62 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_1814511

  • 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

    Citation copied