Inorganic Solid Phases

Na14CaMgTi4[Si2O7]2[PO4]4O4F2, Na12.41Ca2.09Mg0.5Ti2.4Mn0.8Zr0.4Nb0.4Si4.0P3.74O32.5F2 (Na14Ca2.1Mg0.5Ti2.8Nb0.4Mn0.8[Si2O7]2[PO4]4O4F2) Crystal Structure

General Information

  • Phase Label(s): Na14Ca2.1Mg0.5Ti2.8Nb0.4Mn0.8[Si2O7]2[PO4]4O4F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP64
  • Space Group: 1
  • Phase Prototype: Na14Ca2.1Mg0.5Ti2.8Nb0.4Mn0.8[Si2O7]2[PO4]4O4F2
  • 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; 574 variables; I > 1.96σ(I), R = 0.0860
  • Sample Detail(s): sample from Russia, Kola Peninsula, Lovozero massif, electron microprobe analysis; Na12.66Ca1.42Mg0.39Ti2.44Mn0.86Zr0.46Nb0.42Si4.02P3.84O33F, single crystal (determination of cell parameters), single crystal, 0.075×0.125×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na14Ca2.1Mg0.5Ti2.8Nb0.4Mn0.8[Si2O7]2[PO4]4O4F2
  • Alphabetic Formula: Ca2.1F2Mg0.5Mn0.8Na14Nb0.4O4[PO4]4[Si2O7]2Ti2.8
  • Published Formula: Na14CaMgTi4[Si2O7]2[PO4]4O4F2, Na12.41Ca2.09Mg0.5Ti2.4Mn0.8Zr0.4Nb0.4Si4.0P3.74O32.5F2
  • Refined Formula: Ca1.81F2Mg0.50Mn0.80Na11.83Nb0.40O32.50P3.74Si4Ti2.40Zr0.40
  • Wyckoff Sequence: 1,a64
  • Z Formula Units: 1
  • Density: ρ = 3.10 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_1923645

  • 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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