Inorganic Solid Phases

Mg2.25Al0.16Fe0.43Ti0.02Sb0.13O2BO3 (Mg2.25Ti0.02Fe0.43Al0.16Sb0.13[BO3]O2) Crystal Structure

General Information

  • Phase Label(s): Mg2.25Ti0.02Fe0.43Al0.16Sb0.13[BO3]O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chestermanite
  • Pearson Symbol: oP72
  • Space Group: 55
  • Phase Prototype: Mg2(Mg0.25Ti0.02Fe0.44Al0.16Sb0.13)[BO3]O2
  • Measurement Detail(s): automatic diffractometer; 17 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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): orthoborate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 79 variables; 425 reflections; I > 5σ(I), R = 0.043; wR = 0.053
  • Sample Detail(s): chestermanite sample from U.S.A. California, Fresno County, Twin Lakes region, energy-dispersive X-ray analysis; (Mg,Al)2.41(4)(Fe,Ti)0.45(5)Sb0.13(1)O2BO5, single crystal (determination of cell parameters), single crystal, 0.04×0.10×0.34 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg2.25Ti0.02Fe0.43Al0.16Sb0.13[BO3]O2
  • Alphabetic Formula: Al0.16[BO3]Fe0.43Mg2.25O2Sb0.13Ti0.02
  • Published Formula: Mg2.25Al0.16Fe0.43Ti0.02Sb0.13O2BO3
  • Refined Formula: Al0.16BFe0.37Mg2.33O5Sb0.12Ti0.02
  • Wyckoff Sequence: 55,h7g10ca
  • Z Formula Units: 8
  • Density: ρ = 3.69 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_1415058

  • 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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