Inorganic Solid Phases

Cr0.41Mn0.59P4 Crystal Structure

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General Information

  • Phase Label(s): Cr0.41Mn0.59P4
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP20
  • Space Group: 2
  • Phase Prototype: (Cr0.41Mn0.59)P4
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): phosphide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement; 94 variables; 2129 reflections; I > 3σ(I), R = 0.024; wR = 0.026
  • Sample Detail(s): sample prepared from Cr50Mn50, P red, comparison of cell parameters; Cr8.2Mn11.8P80; no elements heavier than Na detected by energy-dispersive X-ray analysis; Cr/Mn ratios determined by EDX range from 48/52 to 55/45, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cr0.41Mn0.59P4
  • Alphabetic Formula: Cr0.41Mn0.59P4
  • Published Formula: Cr0.41Mn0.59P4
  • Refined Formula: Cr0.38Mn0.63P4
  • Wyckoff Sequence: 2,i10
  • Z Formula Units: 4
  • Density: ρ = 3.99 Mg·m−3
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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
1/d2 [10−2 nm−2]
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_1252092

  • 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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