Inorganic Solid Phases

Ca3Mn2+Sb5+4O14, Ca2.77Mn2+1.08Mg0.03Fe2+0.02Sb5+4.04O14 (Ca1.4Mn0.6Sb2O7, p = 6.38 GPa) Crystal Structure

General Information

  • Phase Label(s): Ca1.4Mn0.6Sb2O7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ingersonite
  • Pearson Symbol: hP66
  • Space Group: 152
  • Phase Prototype: Mn2Sb2O7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur 3 (determination of structural parameters), X-rays, Mo Kα1; λ = 0.07093 nm (determination of cell and structural parameters), p = 6.38 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, least-squares refinement; 45 variables; 329 reflections; F > 4σ(F), R = 0.0549
  • Sample Detail(s): ingersonite sample from Sweden, Värmland, Langban, electron microprobe analysis; Ca2.77Mn2+1.08Mg0.03Fe2+0.02Sb5+4.04O14, single crystal (determination of cell parameters), single crystal, 0.070×0.080×0.084 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca1.4Mn0.6Sb2O7
  • Alphabetic Formula: Ca1.4Mn0.6O7Sb2
  • Published Formula: Ca3Mn2+Sb5+4O14, Ca2.77Mn2+1.08Mg0.03Fe2+0.02Sb5+4.04O14
  • Refined Formula: Ca1.40Mg0.06Mn0.56O7Sb1.98
  • Wyckoff Sequence: 152,c9b2a2
  • Z Formula Units: 6
  • Density: ρ = 5.68 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223794

  • 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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