Inorganic Solid Phases

Zn4O(BO3)2 (Zn6B3O10.5 (H)) Crystal Structure

General Information

  • Phase Label(s): Zn6B3O10.5 (H)
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR120
  • Space Group: 167
  • Phase Prototype: Zn6[BO3]3(O0.5[OH]0.5)2
  • Measurement Detail(s): automatic diffractometer; Scintag PAD-X (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of structural parameters), T = 298 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 31 variables; 191 reflections, R = 0.109; wR = 0.142
  • Sample Detail(s): sample prepared from Na2B4O7[H2O]10, NaOH, Zn[NO3]2, H2O, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn6B3O10.5
  • Alphabetic Formula: B3O10.5Zn6
  • Published Formula: Zn4O(BO3)2
  • Refined Formula: B2O7Zn4
  • Wyckoff Sequence: 167,f2e2c
  • Z Formula Units: 6
  • Density: ρ = 3.92 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_1906853

  • 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