Inorganic Solid Phases

Cs5.94K2.22[(Ce11.35La5.86Nd3.23Pr1.54Sm0.32Gd0.20)(Ca4.68Sr1.00)]Si70.12O175.25(OH)10.17F6.83(H2O)17.75 (Cs5.94K2.22Ca5.68La6.45Ce12.5Nd3.55Si70.12O175.25[OH]10.17F6.83[H2O]17.75) Crystal Structure

General Information

  • Phase Label(s): Cs5.94K2.22Ca5.68La6.45Ce12.5Nd3.55Si70.12O175.25[OH]10.17F6.83[H2O]17.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mendeleevite-(Ce)
  • Pearson Symbol: cP706
  • Space Group: 200
  • Phase Prototype: Cs5.94K2.22Ca5.68La6.45Ce12.5Nd3.55Si70.12O175.25[OH]10.17F6.83[H2O]17
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 274 variables; 2523 reflections, R = 0.0487; wR = 0.1357
  • Sample Detail(s): mendeleevite sample from Tajikistan, Tien-Shan Mountains, Dara-i-Pioz, electron microprobe analysis; Cs5.94K2.22[(Ce11.35La5.86Nd3.23Pr1.54Sm0.32Gd0.20)(Ca4.68Sr1.00)]Si70.12O175.25[OH]10.17F6.83[H2O]17.75, single crystal (determination of cell parameters), single crystal, 0.040×0.075×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs5.94K2.22Ca5.68La6.45Ce12.5Nd3.55Si70.12O175.25[OH]10.17F6.83[H2O]17.75
  • Alphabetic Formula: Ca5.68Ce12.5Cs5.94F6.83[H2O]17.75K2.22La6.45Nd3.55O175.25[OH]10.17Si70.12
  • Published Formula: Cs5.94K2.22[(Ce11.35La5.86Nd3.23Pr1.54Sm0.32Gd0.20)(Ca4.68Sr1.00)]Si70.12O175.25(OH)10.17F6.83(H2O)17.75
  • Refined Formula: Ca4.69Ce11.33Cs6F6.83Gd0.21H45.74K2.22La5.83Nd3.23O202.95Pr1.52Si70Sm0.32Sr
  • Wyckoff Sequence: 200,l19k8j10i3hca
  • Z Formula Units: 2
  • Density: ρ = 3.05 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_1226531

  • 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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