Inorganic Solid Phases

Zn[BPO4(OH)2] (ZnB[PO4][OH]2) Crystal Structure

General Information

  • Phase Label(s): ZnB[PO4][OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP72
  • Space Group: 60
  • Phase Prototype: ZnB[PO4][OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC7 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 295 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, borate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 92 variables; 1162 reflections; F > 4σ(F), R = 0.028; wR = 0.075
  • Sample Detail(s): sample prepared from ZnO, B2O3, P2O5, inductive coupled plasma method; 32.2(5) wt.% Zn, 5.20(2) wt.% B, 14.63(8) wt.% P, 0.99(1) wt.% H, powder (determination of cell parameters), single crystal, 0.03×0.08×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: ZnB[PO4][OH]2
  • Alphabetic Formula: B[OH]2[PO4]Zn
  • Published Formula: Zn[BPO4(OH)2]
  • Refined Formula: BH2O6PZn
  • Wyckoff Sequence: 60,d8c2
  • Z Formula Units: 8
  • Density: ρ = 3.13 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_1124475

  • 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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