Inorganic Solid Phases

NaCl, B1 (NaCl, p = 17.0(4) GPa) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): NaCl
  • Structure Class(es): rocksalt family
  • Classification by Properties: diamagnetic, ionic conductor, mictomagnet, nonmetal
  • Mineral Name(s): halite
  • Pearson Symbol: cF8
  • Space Group: 225
  • Phase Prototype: NaCl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. California, Berkeley, Lawrence Berkeley National Laboratory, Advanced Light Source, BL-12.2.2 (determination of structural parameters), X-rays, synchrotron; λ = 0.06199 nm (determination of cell and structural parameters), p = 17.0(4) GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): chloride
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, Rietveld refinement, multiphase; 9 variables, RP = 0.0045; wRP = 0.0087; RB = 0.0071
  • Sample Detail(s): sample prepared from NiSi, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaCl
  • Alphabetic Formula: ClNa
  • Published Formula: NaCl, B1
  • Refined Formula: ClNa
  • Wyckoff Sequence: 225,ba
  • Z Formula Units: 4
  • Density: ρ = 2.99 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1605508

  • 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

    Download this citation

    Citation copied