Inorganic Solid Phases

Na3Ca(Mn,Ca)(CO3)3F (Na3Ca1.55Mn0.45[CO3]3F) Crystal Structure

General Information

  • Phase Label(s): Na3Ca1.55Mn0.45[CO3]3F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS72
  • Space Group: 9
  • Phase Prototype: Na3Ca(Ca0.55Mn0.45)[CO3]3F
  • 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): carbonate, fluoride
  • Interpretation Detail(s): complete structure determined, not specified; 241 reflections; I > 1.96σ(I), R = 0.057
  • Sample Detail(s): sample from Russia, chemical analysis; Na6.085(Ca2.722Mn0.877Fe0.120Y0.068Dy0.04)C6.04O18.026F1.974, single crystal (determination of cell parameters), single crystal, 0.175×0.200×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3Ca1.55Mn0.45[CO3]3F
  • Alphabetic Formula: [CO3]3Ca1.55FMn0.45Na3
  • Published Formula: Na3Ca(Mn,Ca)(CO3)3F
  • Refined Formula: C3Ca1.55FMn0.45Na3O9
  • Wyckoff Sequence: 9,a18
  • Z Formula Units: 4
  • Density: ρ = 2.70 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_1610535

  • 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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