Inorganic Solid Phases

Mn2+CeV3+AlMn2+Si2O7SiO4O(OH), [Mn0.62Ca0.38][Ce0.39La0.15Nd0.10Sm0.02Ca0.21Sr0.11][V0.80Al0.16Mg0.03Ti0.01]Al1.00[Mn0.36V0.31Fe2+0.23Fe3+0.10]Si2O7SiO4O(OH) (CeVMn2Al[SiO4][Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): CeVMn2Al[SiO4][Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): vanadoandrosite-(Ce)
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 85 variables; 1000 reflections; F > 4σ(F), R = 0.0667
  • Sample Detail(s): vanadoandrosite sample from France, Pyrenees, Vielle-Aure, electron microprobe analysis; Si3.000Al1.184V0.442Ti0.005Fe0.171Mn1.706Mg0.189Ca0.287Ce0.615La0.318Nd0.031F0.188, single crystal (determination of cell parameters), single crystal, 0.020×0.050×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CeVMn2Al[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: AlCeMn2O[OH][SiO4][Si2O7]V
  • Published Formula: Mn2+CeV3+AlMn2+Si2O7SiO4O(OH), [Mn0.62Ca0.38][Ce0.39La0.15Nd0.10Sm0.02Ca0.21Sr0.11][V0.80Al0.16Mg0.03Ti0.01]Al1.00[Mn0.36V0.31Fe2+0.23Fe3+0.10]Si2O7SiO4O(OH)
  • Refined Formula: Al1.16Ca0.59Ce0.39Fe0.33La0.15Mg0.03Mn0.98Nd0.10O13Si3Sr0.11Ti0.01V1.11
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 4.40 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_1213882

  • 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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