Inorganic Solid Phases

Mg3(H2O)6[B2(OH)6(PO4)2] (Mg3B2[PO4]2[OH]6[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Mg3B2[PO4]2[OH]6[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lüneburgite
  • Pearson Symbol: aP27
  • Space Group: 2
  • Phase Prototype: Mg3B2[PO4]2[OH]6[H2O]6
  • Measurement Detail(s): automatic diffractometer; 34 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, borate, hydrate
  • Interpretation Detail(s): complete structure determined, 125 variables; 2069 reflections; F > 3σ(F), R = 0.026; wR = 0.053
  • Sample Detail(s): lüneburgite sample from Serbia, Bela Stena, chemical analysis; 29.96 wt.% P2O5, 12.63 wt.% B2O3, 25.47 wt.% MgO, single crystal (determination of cell parameters), single crystal, 0.26×0.39×0.72 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg3B2[PO4]2[OH]6[H2O]6
  • Alphabetic Formula: B2[H2O]6Mg3[OH]6[PO4]2
  • Published Formula: Mg3(H2O)6[B2(OH)6(PO4)2]
  • Refined Formula: B2H18Mg3O20P2
  • Wyckoff Sequence: 2,i13g
  • Z Formula Units: 1
  • Density: ρ = 2.20 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616922

  • 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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