Inorganic Solid Phases

Mg2.98Fe0.01Ti0.02Si0.99O4(OH)0.31F1.69 (Mg3[SiO4][OH]F, p = 8.2 GPa) Crystal Structure

General Information

  • Phase Label(s): Mg3[SiO4][OH]F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): norbergite
  • Pearson Symbol: oP40
  • Space Group: 62
  • Phase Prototype: Mg3[SiO4][OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), Photon Factory, BL-10A (determination of structural parameters), X-rays, synchrotron; λ = 0.06989 nm (determination of cell and structural parameters), p = 8.2 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, least-squares refinement; 26 variables; 466 reflections; F > 2σ(F), R = 0.053; wR = 0.071
  • Sample Detail(s): norbergite sample from U.S.A. New Jersey, Ogdenburg, Sterling Hill, electron microprobe analysis; Mg2.98Fe0.01Ti0.02Si0.99O4[OH]0.31F1.69, single crystal (determination of cell parameters), single crystal, 0.04×0.06×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg3[SiO4][OH]0.31F1.69
  • Alphabetic Formula: F1.69Mg3[OH]0.31[SiO4]
  • Published Formula: Mg2.98Fe0.01Ti0.02Si0.99O4(OH)0.31F1.69
  • Refined Formula: F1.69H0.31Mg3O4.31Si
  • Wyckoff Sequence: 62,d3c4
  • Z Formula Units: 4
  • Density: ρ = 3.38 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_1221449

  • 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