Inorganic Solid Phases

Ca(Mn0.94Al0.06)(OH)SiO4 (CaMn0.94Al0.06[SiO4][OH]) Crystal Structure

General Information

  • Phase Label(s): CaMn0.94Al0.06[SiO4][OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mozartite
  • Pearson Symbol: oP32
  • Space Group: 19
  • Phase Prototype: CaCu[AsO4][OH]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 660 reflections; I > 3σ(I), R = 0.027; wR = 0.024
  • Sample Detail(s): mozartite sample from Italy, Apennines, Liguria, Val di Vara, Cerchiara mine, energy-dispersive X-ray analysis; Ca0.98(Mn1.00Al0.02)[OH]1.00Si0.99O4, single crystal (determination of cell parameters), single crystal, 0.026×0.102×0.128 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMn0.94Al0.06[SiO4][OH]
  • Alphabetic Formula: Al0.06CaMn0.94[OH][SiO4]
  • Published Formula: Ca(Mn0.94Al0.06)(OH)SiO4
  • Refined Formula: Al0.06CaHMn0.94O5Si
  • Wyckoff Sequence: 19,a8
  • Z Formula Units: 4
  • Density: ρ = 3.67 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014047

  • 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

    Citation copied