Inorganic Solid Phases

Na2(Cu2Si5O13)·xH2O, x= 0.37 (Na2Cu2Si5O13[H2O]3, T = 333 K) Crystal Structure

General Information

  • Phase Label(s): Na2Cu2Si5O13[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP96
  • Space Group: 13
  • Phase Prototype: Na2Cu2Si5O13[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 333 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; 113 variables; 1309 reflections; I > 2σ(I), R = 0.0332; wR = 0.0681
  • Sample Detail(s): sample prepared from silica gel (S-4883), NaOH, Cu, Ti, multi-phase sample, twinned crystal (determination of cell parameters), twinned crystal, 0.02×0.03×0.29 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Cu2Si5O13[H2O]0.37
  • Alphabetic Formula: [H2O]0.37Cu2Na2O13Si5
  • Published Formula: Na2(Cu2Si5O13)·xH2O, x= 0.37
  • Refined Formula: Cu2H0.69Na2O13.37Si5.03
  • Wyckoff Sequence: 13,g21f2e2
  • Z Formula Units: 2
  • Density: ρ = 2.65 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_1237722

  • 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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