Inorganic Solid Phases

Ca7.29Na0.71(SiO4)3.29(PO4)0.71 (Na3.4Ca12.6[SiO4]4.6[PO4]3.4) Crystal Structure

General Information

  • Phase Label(s): Na3.4Ca12.6[SiO4]4.6[PO4]3.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): flamite
  • Pearson Symbol: oP112
  • Space Group: 31
  • Phase Prototype: Ca15[SiO4]6[PO4]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 164 variables; 1616 reflections; I > 2σ(I), R = 0.0899
  • Sample Detail(s): flamite sample from Israel, Negev Desert, Hatrurim complex, electron microprobe analysis; Ca6.90Mg0.02Na0.668K0.344Si2.944P1.052S6+0.012Fe3+0.016O16, twinned crystal (determination of cell parameters), twinned crystal, 0.03×0.06×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.42Ca14.58[SiO4]6.58[PO4]1.42
  • Alphabetic Formula: Ca14.58[PO4]1.42[SiO4]6.58Na1.42
  • Published Formula: Ca7.29Na0.71(SiO4)3.29(PO4)0.71
  • Refined Formula: Ca14.60Na1.40O32P1.42Si6.58
  • Wyckoff Sequence: 31,b23a10
  • Z Formula Units: 2
  • Density: ρ = 3.24 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1239022

  • 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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