Inorganic Solid Phases

Rb0.02K0.03Na0.27Ca7.68Mg0.78Cu0.04Ti0.04V8.15Mn0.59Fe1.02Al1.69Si11.69O42(OH)14 (Na0.08Ca1.93Mg0.2V2.05Mn0.15Fe0.25Al0.425Si2.93O10.5[OH]3.5) Crystal Structure

General Information

  • Phase Label(s): Na0.08Ca1.93Mg0.2V2.05Mn0.15Fe0.25Al0.425Si2.93O10.5[OH]3.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): poppiite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Ca2(Mg0.1Mn0.15Al0.75)3Si3O11[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 127 variables; 1918 reflections; F > 2σ(F), R = 0.0307; wR = 0.0720
  • Sample Detail(s): popiite sample from Italy, Apennines, Liguria, Val Graveglia, Gambatesa mine, electron microprobe analysis; 33.19 wt.% SiO2, 0.14 wt.% TiO2, 4.08 wt.% Al2O3, 28.86 wt.% V2O3, 1.49 wt.% MgO, 3.85 wt.% Fe2O3, 1.99 wt.% MnO, 0.14 wt.% CuO, 20.35 wt.% CaO, 0.39 wt.% Na2O, 0.08 wt.% K2O, 0.08 wt.% Rb2O, 0.01 wt.% F, single crystal (determination of cell parameters), single crystal, 0.06×0.08×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.08Ca1.93Mg0.2V2.05Mn0.15Fe0.25Al0.425Si2.93O10.5[OH]3.5
  • Alphabetic Formula: Al0.425Ca1.93Fe0.25Mg0.2Mn0.15Na0.08O10.5[OH]3.5Si2.93V2.05
  • Published Formula: Rb0.02K0.03Na0.27Ca7.68Mg0.78Cu0.04Ti0.04V8.15Mn0.59Fe1.02Al1.69Si11.69O42(OH)14
  • Refined Formula: Al0.42Ca1.92Fe0.26H4K0.01Mg0.20Mn0.15Na0.07O14Rb0.01Si2.92Ti0.01V2.04
  • Wyckoff Sequence: 12,j4i13f
  • Z Formula Units: 4
  • Density: ρ = 3.44 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_1212758

  • 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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