Inorganic Solid Phases

Mn2Mo3O8 (Mo3Mn1.8Fe0.2O8) Crystal Structure

General Information

  • Phase Label(s): Mo3Mn1.8Fe0.2O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): iseite
  • Pearson Symbol: hP26
  • Space Group: 186
  • Phase Prototype: Zn2Mo3O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), Photon Factory Advanced Ring, NE1A (determination of structural parameters), X-rays, synchrotron; λ = 0.0413 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0191; wRP = 0.0311; RB = 0.0623
  • Sample Detail(s): iseite sample from Japan, Mie Prefecture, Ise City, Shobu area, electron microprobe analysis; (Mn1.787Fe0.193)Mo3.010O8, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mo3Mn1.8Fe0.2O8
  • Alphabetic Formula: Fe0.2Mn1.8Mo3O8
  • Published Formula: Mn2Mo3O8
  • Refined Formula: Fe0.20Mn1.80Mo3O8
  • Wyckoff Sequence: 186,c3b3a
  • Z Formula Units: 2
  • Density: ρ = 5.85 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_1234303

  • 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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