Inorganic Solid Phases

(Mn2+0.78Fe2+0.23Mg0.01)Be(PO4)(OH0.92F0.08) (Mg0.007BeMn0.767Fe0.226[PO4][OH]0.92F0.08) Crystal Structure

General Information

  • Phase Label(s): Mg0.007BeMn0.767Fe0.226[PO4][OH]0.92F0.08
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): väyrynenite
  • Pearson Symbol: mP32
  • Space Group: 14
  • Phase Prototype: Be(Mn0.8Fe0.2)[PO4]([OH]0.9F0.1)
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1001 reflections; F > 5σ(F), R = 0.015; wR = 0.018
  • Sample Detail(s): väyrynenite sample from Pakistan, Gilgit Skardu Road area, Sassi, electron microprobe analysis; (Mn0.776Fe0.229Mg0.007)Be[P0.988O4][OH0.92F0.08], single crystal (determination of cell parameters), single crystal, 0.10×0.14×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.007BeMn0.767Fe0.226[PO4][OH]0.92F0.08
  • Alphabetic Formula: BeF0.08Fe0.226Mg0.007Mn0.767[OH]0.92[PO4]
  • Published Formula: (Mn2+0.78Fe2+0.23Mg0.01)Be(PO4)(OH0.92F0.08)
  • Refined Formula: BeF0.08Fe0.23H0.92Mg0.01Mn0.77O4.92P
  • Wyckoff Sequence: 14,e8
  • Z Formula Units: 4
  • Density: ρ = 3.25 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_1014096

  • 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