Inorganic Solid Phases

(Na,Mn,Fe)15(Y,REE)2(CO3)9(SO3F)Cl (Na14Y1.5Ce0.3Nd0.2Mn[CO3]9[SO3F]Cl) Crystal Structure

General Information

  • Phase Label(s): Na14Y1.5Ce0.3Nd0.2Mn[CO3]9[SO3F]Cl
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): reederite-(Y)
  • Pearson Symbol: hP60
  • Space Group: 174
  • Phase Prototype: (Na0.93Mn0.07)15(Y0.75Ce0.15Nd0.1)2[CO3]9[SO3F]Cl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, fluorosulfate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1200 reflections; F > 4σ(F), R = 0.032; wR = 0.031
  • Sample Detail(s): reederite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, wavelength-dispersive X-ray spectroscopy; 34.04 wt.% Na2O, 1.23 wt.% MnO, 10.24 wt.% Y2O3, 3.54 wt.% Ce2O3, 1.99 wt.% Nd2O3, 5.07 wt.% SO3, 31.91 wt.% CO2 et al., single crystal (determination of cell parameters), single crystal, 0.20×0.27×0.52 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na14Y1.5Ce0.3Nd0.2Mn[CO3]9[SO3F]Cl
  • Alphabetic Formula: [CO3]9Ce0.3ClMnNa14Nd0.2[SO3F]Y1.5
  • Published Formula: (Na,Mn,Fe)15(Y,REE)2(CO3)9(SO3F)Cl
  • Refined Formula: C9Ce0.30ClFMn1.05Na13.95Nd0.20O30SY1.50
  • Wyckoff Sequence: 174,l6k3j2ihgeba
  • Z Formula Units: 1
  • Density: ρ = 2.92 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1617447

  • 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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