Inorganic Solid Phases

Na- and Cl-rich scapolite (Na3.2Ca0.85Al3.65Si8.35[CO3]0.25Cl0.75O24) Crystal Structure

General Information

  • Phase Label(s): Na3.2Ca0.85Al3.65Si8.35[CO3]0.25Cl0.75O24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): marialite
  • Pearson Symbol: tP90
  • Space Group: 86
  • Phase Prototype: Na3.2Ca0.85Al3.65Si8.35[CO3]0.25Cl0.75O24
  • Measurement Detail(s): precession photographs (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, silicate, chloride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.074
  • Sample Detail(s): scapolite sample from Canada, Ontario, Gooderham, chemical analysis; (Na5.76Ca1.67K0.42)(Si16.68Al7.35)O48.55(Cl1.45[SO4]0.007[CO3]0.44), single crystal, 0.5 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3.08Ca0.92Al3.52Si8.48[CO3]0.2Cl0.8O24
  • Alphabetic Formula: Al3.52[CO3]0.2Ca0.92Cl0.8Na3.08O24Si8.48
  • Published Formula: Na- and Cl-rich scapolite
  • Refined Formula: Al3.52C0.20Ca0.92Cl0.80Na3.08O24.60Si8.48
  • Wyckoff Sequence: 86,g11a
  • Z Formula Units: 2
  • Density: ρ = 2.60 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1100176

  • 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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