Inorganic Solid Phases

CsNa5Ca5[Si14B2O38]F2 (Cs0.9Na5.1Ca4.7Y0.1Mn0.2Si13.9B2.1O38[OH]0.6F1.4) Crystal Structure

General Information

  • Phase Label(s): Cs0.9Na5.1Ca4.7Y0.1Mn0.2Si13.9B2.1O38[OH]0.6F1.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): odigitriaite
  • Pearson Symbol: mS276
  • Space Group: 15
  • Phase Prototype: Cs0.9Na5.1Ca4.7Y0.1Mn0.2Si13.9B2.1O38[OH]0.6F1.4
  • Measurement Detail(s): automatic diffractometer; 4059 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II ULTRA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 4886 reflections; F > 4σ(F), R = 0.0275; wR = 0.0728
  • Sample Detail(s): odigitriaite sample from Tajikistan, Tien-Shan Mountains, Dara-i-Pioz, electron microprobe analysis; Cs0.90Na5.12Ca4.68Mn0.20Y0.06Fe0.02Pb0.01[Si13.92Al0.03B2.06O38]F1.39(OH)0.62, single crystal (determination of cell parameters), single crystal, 0.030×0.060×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.9Na5.1Ca4.7Y0.1Mn0.2Si13.9B2.1O38[OH]0.6F1.4
  • Alphabetic Formula: B2.1Ca4.7Cs0.9F1.4Mn0.2Na5.1O38[OH]0.6Si13.9Y0.1
  • Published Formula: CsNa5Ca5[Si14B2O38]F2
  • Refined Formula: B2.16Ca5.14Cs0.91F1.40Fe0.02H0.60Mn0.20Na4.72O38.60Pb0.01Si13.84Y0.06
  • Wyckoff Sequence: 15,f33e2a
  • Z Formula Units: 4
  • Density: ρ = 2.83 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_1244053

  • 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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