Inorganic Solid Phases

Na(Ca1.73Mn0.27)[HSi3O9] (HNaCa1.73Mn0.27Si3O9) Crystal Structure

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General Information

  • Phase Label(s): HNaCa1.73Mn0.27Si3O9
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): pectolite
  • Pearson Symbol: aP30
  • Space Group: 2
  • Phase Prototype: HNaCa2Si3O9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Hamburg, Deutsches Elektronen-Synchrotron DESY, HASYLAB, DORIS III reactor, B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.07218 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement on F; 141 variables; 1620 reflections, R = 0.0355; wR = 0.0451
  • Sample Detail(s): pectolite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Koashva, single crystal (determination of cell parameters), single crystal, 0.12×0.12×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HNaCa1.73Mn0.27Si3O9
  • Alphabetic Formula: Ca1.73HMn0.27NaO9Si3
  • Published Formula: Na(Ca1.73Mn0.27)[HSi3O9]
  • Refined Formula: Ca1.73HMn0.27NaO9Si3
  • Wyckoff Sequence: 2,i15
  • Z Formula Units: 2
  • Density: ρ = 2.94 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1216632

  • 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)

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