Inorganic Solid Phases

Na0.3K2.5Ca1.4Mg2.1[Al9.9Si26.5O72]·7H2O (K2.5Na0.3Ca1.4Mg2.1Al9.8Si26.2O72[H2O]28) Crystal Structure

General Information

  • Phase Label(s): K2.5Na0.3Ca1.4Mg2.1Al9.8Si26.2O72[H2O]28
  • Structure Class(es): zeolite MAZ
  • Classification by Properties:
  • Mineral Name(s): mazzite-Mg
  • Pearson Symbol: hP140
  • Space Group: 194
  • Phase Prototype: K2.5Na0.3Ca1.4Mg2.1(Al0.27Si0.73)36O72[H2O]7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1300 reflections; F > 2σ(F), R = 0.062; wR = 0.026
  • Sample Detail(s): mazzite sample from France, Loire, Montbrison, Mont Sémiol, sample prepared from mazzite, chemical analysis; Na0.3K2.5Ca1.4Mg2.1[Al9.9Si26.5O72][H2O]7, single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.43 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2.5Na0.3Ca1.4Mg2.1Al9.8Si26.2O72[H2O]7
  • Alphabetic Formula: Al9.8Ca1.4[H2O]7K2.5Mg2.1Na0.3O72Si26.2
  • Published Formula: Na0.3K2.5Ca1.4Mg2.1[Al9.9Si26.5O72]·7H2O
  • Refined Formula: Al9.79Ca1.40H12.53K2.50Mg2.10Na0.30O78.27Si26.21
  • Wyckoff Sequence: 194,l2kj3ih3gf2
  • Z Formula Units: 1
  • Density: ρ = 1.94 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_1404477

  • 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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