Inorganic Solid Phases

Ca48(Mg13Fe2Mn)(CO3)16{Al[SiO3.75(OH)0.25]4}(BO3)28[(H2O)3(HCl)3] (HCa12Mg3.25Fe0.75Al0.25[SiO4][BO3]7[CO3]4Cl0.75[H2O]0.75) Crystal Structure

General Information

  • Phase Label(s): HCa12Mg3.25Fe0.75Al0.25[SiO4][BO3]7[CO3]4Cl0.75[H2O]0.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sakhaite
  • Pearson Symbol: cF504
  • Space Group: 227
  • Phase Prototype: HCa12(Mg0.81Fe0.19)4Al0.25[SiO4][BO3]7[CO3]4Cl0.75[H2O]0.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, carbonate, orthosilicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 37 variables; 210 reflections; I > 2σ(I), R = 0.047; wR = 0.089
  • Sample Detail(s): sakhaite sample from Russia, Buryatia, Solongo deposit, energy-dispersive X-ray analysis; Si/Al/Mn/Fe/Mg/Ca/Cl ratio 3.5/1.4/0.8/2.2/13.0/48.0/4.8, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HCa12Mg3.25Fe0.75Al0.25[SiO4][BO3]7[CO3]4Cl0.75[H2O]0.75
  • Alphabetic Formula: Al0.25[BO3]7[CO3]4Ca12Cl0.75Fe0.75H[H2O]0.75Mg3.25[SiO4]
  • Published Formula: Ca48(Mg13Fe2Mn)(CO3)16{Al[SiO3.75(OH)0.25]4}(BO3)28[(H2O)3(HCl)3]
  • Refined Formula: Al0.24B7.02C4Ca12Cl0.82Fe0.70H1.63Mg3.30O37.78Si0.98
  • Wyckoff Sequence: 227,g3fe4dca
  • Z Formula Units: 4
  • Density: ρ = 2.93 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1122172

  • 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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