Inorganic Solid Phases

(Mn0.568Mg0.390Zn0.037)5(SiO4)2((OH)1.06F0.94) (Mg1.95Zn0.185Mn2.84[SiO4]2[OH]1.06F0.94) Crystal Structure

General Information

  • Phase Label(s): Mg1.95Zn0.185Mn2.84[SiO4]2[OH]1.06F0.94
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): alleghanyite
  • Pearson Symbol: mP34
  • Space Group: 14
  • Phase Prototype: Mn5[SiO4]2[OH]2
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα1; λ = 0.0709260 nm (determination of cell parameters), X-rays, Mo Kα1; λ = 0.070926 nm (determination of structural parameters), T = 291 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1873 reflections; F > 2σ(F), R = 0.048; wR = 0.053
  • Sample Detail(s): alleghanyite sample from U.S.A. New Jersey, Ogdenburg, Sterling Hill, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.3×0.2×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg1.95Zn0.185Mn2.84[SiO4]2[OH]1.06F0.94
  • Alphabetic Formula: F0.94Mg1.95Mn2.84[OH]1.06[SiO4]2Zn0.185
  • Published Formula: (Mn0.568Mg0.390Zn0.037)5(SiO4)2((OH)1.06F0.94)
  • Refined Formula: F0.94H1.06Mg1.95Mn2.87O9.06Si2Zn0.18
  • Wyckoff Sequence: 14,e8c
  • Z Formula Units: 2
  • Density: ρ = 3.71 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2110208

  • 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