Inorganic Solid Phases

Ba4Sm7[Si12N23O][BN3] (Ba4Sm7Si12BN26O) Crystal Structure

General Information

  • Phase Label(s): Ba4Sm7Si12BN26O
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: hP51
  • Space Group: 174
  • Phase Prototype: Ba4Pr7Si12BN3(N0.96O0.04)24
  • Measurement Detail(s): automatic diffractometer; 60 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitride, oxide
  • Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F2; 98 variables; 4098 reflections; I > 2σ(I), R = 0.0415; wR = 0.0964
  • Sample Detail(s): sample prepared from Ba, Sm, Si[NH]2, BaCO3, poly(boron amide imide), elemental analysis, energy-dispersive X-ray analysis; B2.11Ba7.93N51.09O2.28Si22.88Sm13.70; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.06×0.06×0.48 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba4Sm7Si12BN26O
  • Alphabetic Formula: BBa4N26OSi12Sm7
  • Published Formula: Ba4Sm7[Si12N23O][BN3]
  • Refined Formula: BBa4N25.99O1.01Si12Sm7
  • Wyckoff Sequence: 174,l2k5j7dba
  • Z Formula Units: 1
  • Density: ρ = 5.57 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812043

  • 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