Inorganic Solid Phases

Na7Ca0.9(AlSiO4)6·(CO3)1.4·2.1H2O (Na6Ca1.5Al6[SiO4]6[CO3]1.5[H2O]1.75) Crystal Structure

General Information

  • Phase Label(s): Na6Ca1.5Al6[SiO4]6[CO3]1.5[H2O]1.75
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): cancrinite
  • Pearson Symbol: hP62
  • Space Group: 173
  • Phase Prototype: Na6Ca1.5Al6[SiO4]6[CO3]1.5[H2O]1.8
  • Measurement Detail(s): rotation 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): carbonate, orthosilicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement, R = 0.04
  • Sample Detail(s): cancrinite sample from synthetic, chemical analysis; Na7Ca0.9(AlSiO4)6[CO3]1.4[H2O]2.1, single crystal (determination of cell parameters), single crystal, 0.32 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na7Ca0.9Al6[SiO4]6[CO3]1.4[H2O]2.1
  • Alphabetic Formula: Al6[CO3]1.4Ca0.9[H2O]2.1Na7[SiO4]6
  • Published Formula: Na7Ca0.9(AlSiO4)6·(CO3)1.4·2.1H2O
  • Refined Formula: Al6C1.20Ca0.40H3.96Na7.60O29.58Si6
  • Wyckoff Sequence: 173,c9ba
  • Z Formula Units: 1
  • Density: ρ = 2.43 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

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
2B12 [nm2]
2B13 [nm2]
2B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1405320

  • 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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