Inorganic Solid Phases

(Na1.00Ca0.80Mn0.01)Sb2[O5.69F0.89(OH)0.36] (NaCa0.8Mn0.01Sb2O5.69[OH]0.35F0.89) Crystal Structure

General Information

  • Phase Label(s): NaCa0.8Mn0.01Sb2O5.69[OH]0.35F0.89
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s): fluorcalcioroméite
  • Pearson Symbol: cF88
  • Space Group: 227
  • Phase Prototype: (Na0.5Ca0.5)2Nb2O6F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC5R (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, fluoride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 165 reflections; I > 3σ(I), R = 0.013; wR = 0.018
  • Sample Detail(s): roméite sample from Japan, Fukushima Prefecture, Iwaki, Gozaisho mine, electron microprobe analysis; (Na1.00Ca0.80Mn0.01)Sb2[O5.69F0.89(OH)0.36], single crystal (determination of cell parameters), single crystal, 0.4 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCa0.8Mn0.01Sb2O5.69[OH]0.35F0.89
  • Alphabetic Formula: Ca0.8F0.89Mn0.01NaO5.69[OH]0.35Sb2
  • Published Formula: (Na1.00Ca0.80Mn0.01)Sb2[O5.69F0.89(OH)0.36]
  • Refined Formula: Ca0.82F0.89H0.11Na1.10O6.11Sb2
  • Wyckoff Sequence: 227,fdca
  • Z Formula Units: 8
  • Density: ρ = 5.07 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]

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_1237418

  • 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

    Citation copied