Inorganic Solid Phases

BaMn2+2Al2(PO4)3(OH)3 (BaMn2Al2[PO4]3[OH]3) Crystal Structure

General Information

  • Phase Label(s): BaMn2Al2[PO4]3[OH]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bjarebyite
  • Pearson Symbol: mP46
  • Space Group: 11
  • Phase Prototype: (Ba0.9Sr0.1)(Mn0.5Fe0.5)2Al2[PO4]3[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 121 variables; 1851 reflections; I > 3σ(I), R = 0.0196; wR = 0.0269
  • Sample Detail(s): bjarebyite sample from U.S.A. New Hampshire, Grafton County, North Groton, Palermo mine, electron microprobe analysis; (Ba0.86Sr0.10Ca0.01Na0.01)(Mn1.20Fe0.75Mg0.05)Al1.94[PO4]3[OH2.99Cl0.01], single crystal (determination of cell parameters), single crystal, 0.10×0.14×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: BaMn2Al2[PO4]3[OH]3
  • Alphabetic Formula: Al2BaMn2[OH]3[PO4]3
  • Published Formula: BaMn2+2Al2(PO4)3(OH)3
  • Refined Formula: Al2Ba0.94H3Mn1.96O15P3
  • Wyckoff Sequence: 11,f9e5
  • Z Formula Units: 2
  • Density: ρ = 3.95 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]

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_1243602

  • 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