Inorganic Solid Phases

Ca3Na2Cl(SO4)2B5O8(OH)2 (Na2Ca3B5[SO4]2ClO8[OH]2) Crystal Structure

General Information

  • Phase Label(s): Na2Ca3B5[SO4]2ClO8[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): heidornite
  • Pearson Symbol: mS124
  • Space Group: 15
  • Phase Prototype: Na2Ca3B5[SO4]2ClO8[OH]2
  • Measurement Detail(s): Weissenberg photographs (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, borate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1592 reflections, R = 0.115; wR = 0.131
  • Sample Detail(s): heidornite sample from Germany, Lower Saxony, Emsland, Frenswegen 3, single crystal (determination of cell parameters), single crystal, 0.29 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Ca3B5[SO4]2ClO8[OH]2
  • Alphabetic Formula: B5Ca3ClNa2O8[OH]2[SO4]2
  • Published Formula: Ca3Na2Cl(SO4)2B5O8(OH)2
  • Refined Formula: B5Ca3ClH2Na2O18S2
  • Wyckoff Sequence: 15,f14e2a
  • Z Formula Units: 4
  • Density: ρ = 2.70 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_1714291

  • 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