Inorganic Solid Phases

CaLaFeAlMn(SiO4)(Si2O7)O(OH) (CaLaMnFeAl[SiO4][Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): CaLaMnFeAl[SiO4][Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ferriakasakaite-(La)
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 125 variables, R = 0.0313; wR = 0.0623
  • Sample Detail(s): ferriakasakaite-(La) sample from Japan, Mie Prefecture, Ise City, Shobu area, electron microprobe analysis; (Ca0.59La0.48Ce0.20Pr0.07Nd0.18Gd0.02Mn2+0.45)(Mn2+0.50Mg0.07Fe2+0.43Fe3+0.46V3+0.34Cr0.01Al1.13Ti0.06)Si2.99O12(OH)1.09F0.02, single crystal (determination of cell parameters), single crystal, 0.02×0.04×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaLaMnFeAl[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: AlCaFe[OH]La[SiO4][Si2O7]MnO
  • Published Formula: CaLaFeAlMn(SiO4)(Si2O7)O(OH)
  • Refined Formula: Al1.14Ca0.59Ce0.20Fe0.89Gd0.02HLa0.48Mg0.07Mn0.96Nd0.18O13Pr0.07Si3Ti0.06V0.34
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 4.31 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]

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_1238950

  • 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