Inorganic Solid Phases

(Ca1.85Na0.14Pb0.01)(Zn0.85Al0.07Mg0.03Mn3+0.04Fe3+0.01)Si2O7 (Na0.14Ca1.85Mg0.03Zn0.85Mn0.04Fe0.01Al0.07Pb0.01Si2O7) Crystal Structure

General Information

  • Phase Label(s): Na0.14Ca1.85Mg0.03Zn0.85Mn0.04Fe0.01Al0.07Pb0.01Si2O7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hardystonite
  • Pearson Symbol: tP24
  • Space Group: 113
  • Phase Prototype: Ca2Mg[Si2O7]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): average structure determined; refinement in superspace, full-matrix least-squares refinement; 331 reflections; F > 4σ(F), R = 0.0191
  • Sample Detail(s): hardystonite sample from U.S.A. New Jersey, Sussex County, Franklin Furnace, electron microprobe analysis; 38.93 wt.% SiO2, 33.47 wt.% CaO, 22.44 wt.% ZnO, 1.36 wt.% Na2O, 1.14 wt.% Al2O3, 1.00 wt.% Mn2O3, 0.58 wt.% PbO, 0.43 wt.% Fe2O3, 0.36 wt.% MgO, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.14Ca1.85Mg0.03Zn0.85Mn0.04Fe0.01Al0.07Pb0.01Si2O7
  • Alphabetic Formula: Al0.07Ca1.85Fe0.01Mg0.03Mn0.04Na0.14O7Pb0.01Si2Zn0.85
  • Published Formula: (Ca1.85Na0.14Pb0.01)(Zn0.85Al0.07Mg0.03Mn3+0.04Fe3+0.01)Si2O7
  • Refined Formula: Al0.07Ca1.85Fe0.01Mg0.03Mn0.04Na0.14O7Pb0.01Si2Zn0.85
  • Wyckoff Sequence: 113,fe3ca
  • Z Formula Units: 2
  • Density: ρ = 3.37 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_1811752

  • 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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