Inorganic Solid Phases

Na1.8Ca1.1Si6O14 Crystal Structure

General Information

  • Phase Label(s): Na1.8Ca1.1Si6O14 hp
  • Structure Class(es): langasite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP23
  • Space Group: 150
  • Phase Prototype: Na1.8Ca1.1Si6O14
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 37 variables; 573 reflections; F > 3σ(F), R = 0.0192; wR = 0.0207
  • Sample Detail(s): sample prepared from Na2Si2O5, CaSiO3 (wollastonite), SiO2, electron microprobe analysis; Na1.87Ca0.99Mg0.02Al0.03Si5.01O12, single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.8Ca1.1Si6O14
  • Alphabetic Formula: Ca1.1Na1.8O14Si6
  • Published Formula: Na1.8Ca1.1Si6O14
  • Refined Formula: Ca1.11Na1.80O14Si6
  • Wyckoff Sequence: 150,g2fed2a
  • Z Formula Units: 1
  • Density: ρ = 3.19 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
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_1617408

  • 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

    Citation copied