Inorganic Solid Phases

MnMg[Si2O6], low kanoite (Ca0.05Mg0.45Mn0.5SiO3, T = 473(5) K) Crystal Structure

General Information

  • Phase Label(s): Ca0.05Mg0.45Mn0.5SiO3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kanoite
  • Pearson Symbol: mP40
  • Space Group: 14
  • Phase Prototype: MgSiO3
  • Measurement Detail(s): automatic diffractometer; 10 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 473(5) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 93 variables; 733 reflections; I > 2σ(I), R = 0.027; wR = 0.026
  • Sample Detail(s): kanoite sample from United Arab Emirates, Bani Hamid, sample prepared from kanoite, electron microprobe analysis; 26.22 MnO, 17.79 MgO, 1.7 CaO, 52.42 SiO2, 0.65 FeO, 0.25 Na2O, 0.38 Al2O3, 0.03 Cr2O3, 0.02 wt.% TiO2, single crystal (determination of cell parameters), single crystal, 0.05×0.13×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.07Mg1.11Mn0.82Si2O6
  • Alphabetic Formula: Ca0.07Mg1.11Mn0.82O6Si2
  • Published Formula: MnMg[Si2O6], low kanoite
  • Refined Formula: Ca0.07Mg1.11Mn0.82O6Si2
  • Wyckoff Sequence: 14,e10
  • Z Formula Units: 4
  • Density: ρ = 3.47 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601620

  • 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