Inorganic Solid Phases

(Ca1.00)(Ca0.87Sr0.13)(Al0.80M0.20)(Al1.00)(Al0.17M0.83)Si3O12OH (Sr0.6Ca1.4Mn0.9Fe0.3Al1.8[Si2O7][SiO4]O[OH]) Crystal Structure

General Information

  • Phase Label(s): Sr0.6Ca1.4Mn0.9Fe0.3Al1.8[Si2O7][SiO4]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): piemontite-(Sr)
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): precession photographs (determination of cell parameters), diffractometer (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.035
  • Sample Detail(s): piemontite sample from Italy, Alps, Valle d'Aosta, Saint-Marcel, electron microprobe analysis; (Ca1.78Mn2+0.13Na0.10K0.03)(Al1.73Mn3+0.76Fe3+0.51)Si3O12.45[OH]0.08, single crystal (determination of cell parameters), single crystal, 0.15 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr0.13Ca1.87Mn0.72Fe0.31Al1.97[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al1.97Ca1.87Fe0.31Mn0.72O[OH][SiO4][Si2O7]Sr0.13
  • Published Formula: (Ca1.00)(Ca0.87Sr0.13)(Al0.80M0.20)(Al1.00)(Al0.17M0.83)Si3O12OH
  • Refined Formula: Al1.97Ca1.87Fe0.31HMn0.72O13Si3Sr0.13
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 3.49 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615505

  • 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