Inorganic Solid Phases

α-Ca(BD4)2 (Ca[BD4]2 rt, T = 300 K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Ca[BD4]2 rt
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oF24
  • Space Group: 70
  • Phase Prototype: Ca[BH4]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Switzerland, Villigen, Paul Scherrer Institute, Laboratory for Neutron Scattering, SINQ, HRPT (determination of structural parameters), X-rays, synchrotron; λ = 0.0954872 nm (determination of cell parameters), neutrons; λ = 0.1492546 nm (determination of structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): borohydride-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 86 variables
  • Sample Detail(s): sample prepared from MgB2, CaD2, multi-phase sample, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca[BD4]2
  • Alphabetic Formula: [BD4]2Ca
  • Published Formula: α-Ca(BD4)2
  • Refined Formula: B2CaD8
  • Wyckoff Sequence: 70,ga
  • Z Formula Units: 8
  • Density: ρ = 1.21 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
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_1124574

  • 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