Inorganic Solid Phases

Ca1.00(Pb0.5Sr0.25Ca0.25)(Al0.86Fe0.14)Al1.00(Al0.16Fe0.84)Si3O13H (HSr0.25Ca1.25FeAl2Pb0.5[Si2O7][SiO4]O2) Crystal Structure

General Information

  • Phase Label(s): HSr0.25Ca1.25FeAl2Pb0.5[Si2O7][SiO4]O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hancockite
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): precession photographs (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 438 reflections, R = 0.059
  • Sample Detail(s): hancockite sample from U.S.A. New Jersey, Sussex County, Franklin Furnace, chemical analysis; (Ca1.17Mn0.17Pb0.47Sr0.21)(Al1.95Fe0.88Mn0.10Mg0.07)(Si2.95Al0.05)O13H, single crystal (determination of cell parameters), single crystal, 0.03×0.06×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HSr0.25Ca1.25FeAl2Pb0.5[SiO4][Si2O7]O2
  • Alphabetic Formula: Al2Ca1.25FeHO2Pb0.5[SiO4][Si2O7]Sr0.25
  • Published Formula: Ca1.00(Pb0.5Sr0.25Ca0.25)(Al0.86Fe0.14)Al1.00(Al0.16Fe0.84)Si3O13H
  • Refined Formula: Al2.02Ca1.25Fe0.98O13Pb0.50Si3Sr0.25
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 4.04 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_1615529

  • 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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