Inorganic Solid Phases

(Ca,Mn)4(Mn,Fe,Mg)2Al4B2Si8O30(OH)2 (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; 13 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070930 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, borate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 4155 reflections, R = 0.0265
  • Sample Detail(s): axinite sample from U.S.A. Arizona, Graham County, electron microprobe analysis; Ca3.88Mg0.01Mn2.03Fe0.38Al3.77Si8.02B1.99O30[OH]1.8, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca1.8MnFe0.2Al2[Si2O7]2BO[OH]
  • Alphabetic Formula: Al2BCa1.8Fe0.2MnO[OH][Si2O7]2
  • Published Formula: (Ca,Mn)4(Mn,Fe,Mg)2Al4B2Si8O30(OH)2
  • Refined Formula: Al1.86BCa1.95Fe0.19HMg0.01MnO16Si4
  • Wyckoff Sequence: 2,i26
  • Z Formula Units: 2
  • Density: ρ = 3.31 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1121516

  • 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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