Inorganic Solid Phases

Na17Ca3Mg(Ti,Mn)4[Si2O7]2[PO4]6O2F6 (Na17Ca3Mg0.7Ti2.9Nb0.4Mn[Si2O7]2[PO4]6O2F6) Crystal Structure

General Information

  • Phase Label(s): Na17Ca3Mg0.7Ti2.9Nb0.4Mn[Si2O7]2[PO4]6O2F6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP82
  • Space Group: 1
  • Phase Prototype: Na17Ca3Mg0.7Ti2.9Nb0.4Mn[Si2O7]2[PO4]6O2F6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, disilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 736 variables; 3315 reflections; I > 2σ(I), R = 0.0502
  • Sample Detail(s): electron microprobe analysis; Na16.09Ca2.67Mg0.58Zr0.25Ti2.71Nb0.37Mn1.42Si4.00P5.93O42F1.5, single crystal (determination of cell parameters), single crystal, 0.038×0.075×0.125 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na17Ca3Mg0.7Ti2.9Nb0.4Mn[Si2O7]2[PO4]6O2F6
  • Alphabetic Formula: Ca3F6Mg0.7MnNa17Nb0.4O2[PO4]6[Si2O7]2Ti2.9
  • Published Formula: Na17Ca3Mg(Ti,Mn)4[Si2O7]2[PO4]6O2F6
  • Refined Formula: Ca2.96F6Mg0.64Mn1.01Na17.04Nb0.36O40P6Si4Ti2.94
  • Wyckoff Sequence: 1,a82
  • Z Formula Units: 1
  • Density: ρ = 2.97 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1005149

  • 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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