Inorganic Solid Phases

(Ca1.75Na0.25)(Fe2+3.80Fe3+1.35Ti4+0.60Mg2+0.25)O2(Si4.4Al0.6Be1.0)O18 (Na0.20Ca1.80Mg0.25BeTi0.63Fe5.12Al0.49Si4.51O20) Crystal Structure

General Information

  • Phase Label(s): Na0.20Ca1.80Mg0.25BeTi0.63Fe5.12Al0.49Si4.51O20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): makarochkinite
  • Pearson Symbol: aP68
  • Space Group: 2
  • Phase Prototype: Na2TiFe5Si6O20
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 6241 reflections; I > 1.96σ(I), R = 0.0297; wR = 0.0369
  • Sample Detail(s): makarochkinite sample from Russia, Urals, Ilmenskii National Park, chemical analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.034 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.125Ca0.875Mg0.215Be0.5Ti0.3Fe2.6Al0.3Si2.2O10
  • Alphabetic Formula: Al0.3Be0.5Ca0.875Fe2.6Mg0.215Na0.125O10Si2.2Ti0.3
  • Published Formula: (Ca1.75Na0.25)(Fe2+3.80Fe3+1.35Ti4+0.60Mg2+0.25)O2(Si4.4Al0.6Be1.0)O18
  • Refined Formula: Al0.60BeCa1.75Fe5.15Mg0.25Na0.25O20Si4.40Ti0.60
  • Wyckoff Sequence: 2,i33gd
  • Z Formula Units: 4
  • Density: ρ = 3.96 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_1802216

  • 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

    Citation copied