Inorganic Solid Phases

Sn15In9P21Br8 (In4.5Sn7.5P10.5Br4) Crystal Structure

General Information

  • Phase Label(s): In4.5Sn7.5P10.5Br4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP102
  • Space Group: 223
  • Phase Prototype: Zn3.5Sn8.5P11I4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement on F2; 21 variables; 370 reflections; I > 2σ(I), wR = 0.0677
  • Sample Detail(s): sample prepared from Sn, In, P red, SnBr2, energy-dispersive X-ray analysis; Sn16(1)In8(2)P21(1)Br8, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: In4.5Sn7.5P10.5Br4
  • Alphabetic Formula: Br4In4.5P10.5Sn7.5
  • Published Formula: Sn15In9P21Br8
  • Refined Formula: Br4In3.96P10.75Sn7.84
  • Wyckoff Sequence: 223,k3idca
  • Z Formula Units: 2
  • Density: ρ = 5.24 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_1022642

  • 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