Inorganic Solid Phases

(6)[Ca2.00(Ca1.95Mn0.03)(Mg1.92Mn0.04V0.03Cr0.01)Al2.00Al2.00](4)[B2.01Si8.02O30](OH1.9O0.1) (Ca2MgAl2[Si2O7]2BO[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca2MgAl2[Si2O7]2BO[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): axinite-(Mg)
  • Pearson Symbol: aP52
  • Space Group: 2
  • Phase Prototype: Ca2(Mn0.5Fe0.5)Al2[Si2O7]2BO[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, borate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; I > 2σ(I), R = 0.022
  • Sample Detail(s): magnesioaxinite sample from Tanzania, Merelani Hills, electron microprobe analysis; 44.8(2) wt.% SiO2, 6.5(2) wt.% B2O3, 18.9(3) wt.% Al2O3, 0.23(5) wt.% V2O3, 0.08(2) wt.% Cr2O3, 7.18(1) wt.% MgO, 0.5(1) wt.% MnO, 20.6(1) wt.% CaO, 1.6(1) wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.2×0.3×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2MgAl2[Si2O7]2BO[OH]
  • Alphabetic Formula: Al2BCa2MgO[OH][Si2O7]2
  • Published Formula: (6)[Ca2.00(Ca1.95Mn0.03)(Mg1.92Mn0.04V0.03Cr0.01)Al2.00Al2.00](4)[B2.01Si8.02O30](OH1.9O0.1)
  • Refined Formula: Al2BCa2H0.95MgO16Si4
  • Wyckoff Sequence: 2,i26
  • Z Formula Units: 2
  • Density: ρ = 3.16 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_1621789

  • 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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