Inorganic Solid Phases

Ca4(H2O)4[B4O4(OH)6]4(H2O)15 (Ca4B16O16[OH]24[H2O]19) Crystal Structure

General Information

  • Phase Label(s): Ca4B16O16[OH]24[H2O]19
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): alfredstelznerite
  • Pearson Symbol: oP316
  • Space Group: 29
  • Phase Prototype: Ca4B16O16[OH]24[H2O]19
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 3795 reflections; F > 4σ(F), R = 0.141; wR = 0.369
  • Sample Detail(s): alfredstelznerite sample from Argentina, Salta, Sijes, Tertiary deposit, Santa Rosa mine, single crystal (determination of cell parameters), single crystal, 0.016×0.024×0.350 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca4B16O16[OH]24[H2O]19
  • Alphabetic Formula: B16Ca4[H2O]19O16[OH]24
  • Published Formula: Ca4(H2O)4[B4O4(OH)6]4(H2O)15
  • Refined Formula: B16Ca4H62O59
  • Wyckoff Sequence: 29,a79
  • Z Formula Units: 4
  • Density: ρ = 1.78 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_1225087

  • 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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