Inorganic Solid Phases

(Y3.70REE7.54Ca1.55Na1.16Mn0.77Th0.10Pb0.01)(Fe2+0.83Mn0.15Ti0.02)Ca1.00(P0.70Si0.26As0.04)Si6.05B3.20(O34.55F13.45) (Na1.21Ca2.64Y3.7Nd7.54Mn2[SiO4]6.26B3.2[PO4]0.74O6.55F13.45) Crystal Structure

General Information

  • Phase Label(s): Na1.21Ca2.64Y3.7Nd7.54Mn2[SiO4]6.26B3.2[PO4]0.74O6.55F13.45
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): proshchenkoite-(Y)
  • Pearson Symbol: hR234
  • Space Group: 160
  • Phase Prototype: Na1.8Ca2.7Y7.3Ce4.3Fe[SiO4]7B3O6[OH]4F10
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate, borate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1819 reflections; F > 4σ(F), R = 0.042
  • Sample Detail(s): proshchenkoite sample from Russia, Sakha (Yakutia), Tommot deposit, electron microprobe analysis; (Y3.70REE7.54Ca1.55Na1.16Mn0.77Th0.10Pb0.01)(Fe2+0.83Mn0.15Ti0.02)Ca1.00(P0.70Si0.26As0.04)Si6.05B3.20(O34.55F13.45), single crystal (determination of cell parameters), single crystal, 0.060×0.100×0.120 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.21Ca2.64Y3.7Nd7.54Mn2[SiO4]6.26B3.2[PO4]0.74O6.55F13.45
  • Alphabetic Formula: B3.2Ca2.64F13.45Mn2Na1.21Nd7.54O6.55[PO4]0.74[SiO4]6.26Y3.7
  • Published Formula: (Y3.70REE7.54Ca1.55Na1.16Mn0.77Th0.10Pb0.01)(Fe2+0.83Mn0.15Ti0.02)Ca1.00(P0.70Si0.26As0.04)Si6.05B3.20(O34.55F13.45)
  • Refined Formula: As0.04B3Ca2.55F14Fe0.83Mn0.92Na1.16Nd7.54O34P0.70Pb0.01Si6.26Th0.10Ti0.02Y3.70
  • Wyckoff Sequence: 160,c4b16a6
  • Z Formula Units: 3
  • Density: ρ = 4.91 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221605

  • 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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