Inorganic Solid Phases

(Mg1.95Fe0.04Mn0.01)(BO3)0.75(SiO4)0.25[(OH)0.45F0.30] (Mg1.88Mn0.01Fe0.07Si0.18B0.85O3.21[OH]0.24F0.53) Crystal Structure

General Information

  • Phase Label(s): Mg1.88Mn0.01Fe0.07Si0.18B0.85O3.21[OH]0.24F0.53
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pertsevite-(F)
  • Pearson Symbol: oP128
  • Space Group: 33
  • Phase Prototype: Mg1.88Mn0.01Fe0.07Si0.18B0.85O3.21[OH]0.24F0.53
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 146 variables; 931 reflections; I > 2σ(I), R = 0.0436
  • Sample Detail(s): pertsevite sample from Russia, Siberia, East Verkhoyan'ye region, electron microprobe analysis; (Mg1.95Fe0.04Mn0.01)(BO3)0.75(SiO4)0.25[(OH)0.45F0.30], single crystal (determination of cell parameters), single crystal, 0.05×0.10×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg1.95Mn0.01Fe0.04[SiO4]0.25[BO3]0.75[OH]0.45F0.3
  • Alphabetic Formula: [BO3]0.75F0.3Fe0.04Mg1.95Mn0.01[OH]0.45[SiO4]0.25
  • Published Formula: (Mg1.95Fe0.04Mn0.01)(BO3)0.75(SiO4)0.25[(OH)0.45F0.30]
  • Refined Formula: B0.78Mg2O4.01Si0.26
  • Wyckoff Sequence: 62,d15c9
  • Z Formula Units: 16
  • Density: ρ = 3.11 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_1221607

  • 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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