Inorganic Solid Phases

Na1.23Ca0.12Y1.28TR0.24F6 (Na0.6Ca0.06Y0.64Er0.12F3) Crystal Structure

General Information

  • Phase Label(s): Na0.6Ca0.06Y0.64Er0.12F3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gagarinite-(Y)
  • Pearson Symbol: hP12
  • Space Group: 176
  • Phase Prototype: Na0.42(Na0.18Ca0.06Y0.64Er0.12)F3
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, R = 0.036; RP = 0.038; wRP = 0.054; RB = 0.040
  • Sample Detail(s): gagarinite sample from Mongolian People's Republic, East Sayans, Araskan, electron microprobe analysis; Na1.40Ca0.11(Y1.03La0.01Ce0.03Pr0.01Nd0.02Sm0.01Gd0.04Tb0.02Dy0.12H0.02Er0.10Yb0.08)F6, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.6Ca0.06Y0.64Er0.12F3
  • Alphabetic Formula: Ca0.06Er0.12F3Na0.6Y0.64
  • Published Formula: Na1.23Ca0.12Y1.28TR0.24F6
  • Refined Formula: Ca0.06Er0.12F3Na0.60Y0.65
  • Wyckoff Sequence: 176,hec
  • Z Formula Units: 2
  • Density: ρ = 4.53 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1253265

  • 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)

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