Inorganic Solid Phases

Na25BaTR2(CO3)11(HCO3)4(SO4)2F2Cl (H4Na25BaY1.1Gd0.9[CO3]15[SO4]2ClF2) Crystal Structure

General Information

  • Phase Label(s): H4Na25BaY1.1Gd0.9[CO3]15[SO4]2ClF2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mineevite-(Y)
  • Pearson Symbol: hP202
  • Space Group: 176
  • Phase Prototype: H4Na25Ba(Y0.55Gd0.25Dy0.2)2[CO3]15[SO4]2ClF2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, sulfate, chloride, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 518 reflections; I > 1.96σ(I), R = 0.037
  • Sample Detail(s): sample from Russia, Kola Peninsula, Lovozero massif, powder (determination of cell parameters), single crystal, 0.075×0.125×0.175 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4Na25BaY1.1Gd0.9[CO3]15[SO4]2ClF2
  • Alphabetic Formula: Ba[CO3]15ClF2Gd0.9H4Na25[SO4]2Y1.1
  • Published Formula: Na25BaTR2(CO3)11(HCO3)4(SO4)2F2Cl
  • Refined Formula: BaC15ClDy0.40F2Gd0.50Na25O53S2Y1.10
  • Wyckoff Sequence: 176,i13h3f4e2cb
  • Z Formula Units: 2
  • 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812104

  • 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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