Inorganic Solid Phases

H0.83(Ca,Fe2+,Mn)3.09(Al,Fe3+)2.04B0.98Si4O16 (Ca1.3Mn1.7Al2[Si2O7]2BO[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca1.3Mn1.7Al2[Si2O7]2BO[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tinzenite
  • Pearson Symbol: aP52
  • Space Group: 2
  • Phase Prototype: Ca2(Mn0.5Fe0.5)Al2[Si2O7]2BO[OH]
  • Measurement Detail(s): 20 (determination of cell parameters), automatic diffractometer; General Electric XRD-3/6 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Mo Kα (determination of 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; 811 reflections, R = 0.073
  • Sample Detail(s): tinzenite sample from Italy, Liguria, Cassagna mine, sample prepared from tinzenite, chemical analysis; H0.83(Mn1.70Mg0.02Ca1.26Na0.09K0.02)(Al1.95Fe3+0.09)B0.98Si4O16, single crystal (determination of cell parameters), single crystal, 0.018 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca1.3Mn1.7Al2[Si2O7]2BO[OH]
  • Alphabetic Formula: Al2BCa1.3Mn1.7O[OH][Si2O7]2
  • Published Formula: H0.83(Ca,Fe2+,Mn)3.09(Al,Fe3+)2.04B0.98Si4O16
  • Refined Formula: Al2BCa1.30HMn1.70O16Si4
  • Wyckoff Sequence: 2,i26
  • Z Formula Units: 2
  • Density: ρ = 3.42 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1715418

  • 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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