Inorganic Solid Phases

ferri-clinoferroholmquistite, (Na0.28K0.00)(Li1.90Na0.08Ca0.02)(Fe3+1.68Fe2+1.55Mg1.06Li0.28Al0.26Ti0.01Mn2+0.14Zn0.02)Si8.00O22(OH)1.79F0.24 (Na0.36Li2.18Mg1.1Mn0.14Fe3.23Al0.28Si8O22[OH]1.8F0.2) Crystal Structure

General Information

  • Phase Label(s): Na0.36Li2.18Mg1.1Mn0.14Fe3.23Al0.28Si8O22[OH]1.8F0.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): clino-ferri-ferro-holmquistite
  • Pearson Symbol: mS82
  • Space Group: 12
  • Phase Prototype: NaCa2Mg3(Mg0.5Al0.5)2(Al0.25Si0.75)8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 1709 reflections, R = 0.022
  • Sample Detail(s): ferri-clinoferroholmquistite sample from Spain, Sierra de Guadarrama, Pedriza massif, chemical analysis; (Na0.28K0.00)(Li1.90Na0.08Ca0.02)(Fe3+1.68Fe2+1.55Mg1.06Li0.28Al0.26Ti0.01Mn2+0.14Zn0.02)Si8.00O22[OH]1.79F0.24, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.36Li2.18Mg1.1Mn0.14Fe3.23Al0.28Si8O22[OH]1.8F0.2
  • Alphabetic Formula: Al0.28F0.2Fe3.23Li2.18Mg1.1Mn0.14Na0.36O22[OH]1.8Si8
  • Published Formula: ferri-clinoferroholmquistite, (Na0.28K0.00)(Li1.90Na0.08Ca0.02)(Fe3+1.68Fe2+1.55Mg1.06Li0.28Al0.26Ti0.01Mn2+0.14Zn0.02)Si8.00O22(OH)1.79F0.24
  • Refined Formula: Al0.26Ca0.02F0.24Fe3.23H1.76Li2.18Mg1.06Mn0.14Na0.36O23.76Si8Ti0.01Zn0.02
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.24 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Powder Pattern

published defraction line
2θ [°]
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_1220526

  • 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