Inorganic Solid Phases

HFe0.5Mn0.5Ca2Al2BSi4O16 (Ca2Mn0.5Fe0.5Al2[Si2O7]2BO[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca2Mn0.5Fe0.5Al2[Si2O7]2BO[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): axinite-(Fe)/axinite-(Mn)
  • Pearson Symbol: aP52
  • Space Group: 2
  • Phase Prototype: Ca2(Mn0.5Fe0.5)Al2[Si2O7]2BO[OH]
  • Measurement Detail(s): automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, borate
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement; 431 reflections, R = 0.042
  • Sample Detail(s): axinite sample from U.S.A. California, Woodlake, Fe/Mn ratio 1/1, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Mn0.5Fe0.5Al2[Si2O7]2BO[OH]
  • Alphabetic Formula: Al2BCa2Fe0.5Mn0.5O[OH][Si2O7]2
  • Published Formula: HFe0.5Mn0.5Ca2Al2BSi4O16
  • Refined Formula: Al2BCa2Fe0.50HMn0.50O16Si4
  • Wyckoff Sequence: 2,i26
  • Z Formula Units: 2
  • Density: ρ = 3.32 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2042188

  • 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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