Inorganic Solid Phases

(Na0.58Ag0.18)(Al1.54Mg1.46)(Al5.34Mg0.66)(Si5.90Al0.10)O18(BO3)3(OH)3(O0.53F0.47) (Na0.58Mg2.12Ag0.18Al6.98Si5.90[BO3]3O18.53[OH]3F0.47) Crystal Structure

General Information

  • Phase Label(s): Na0.58Mg2.12Ag0.18Al6.98Si5.90[BO3]3O18.53[OH]3F0.47
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): dravite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 94 variables; 1113 reflections, R = 0.037
  • Sample Detail(s): sample from synthetic, sample prepared from SiO2, Al2O3, MgO, Na2B4O7[H2O]10, B2O3, AgF, electron microprobe analysis; (Si5.739Al0.261)(Al6)(Al0.548Fe0.003Mn0.001Mg2.167Ni0.003)(Ca0.002Ag0.251Na0.568)(O0.549F0.448Cl0.003)O18[BO3]3[OH]3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.58Mg2.12Ag0.18Al6.98Si5.90[BO3]3O18.53[OH]3F0.47
  • Alphabetic Formula: Ag0.18Al6.98[BO3]3F0.47Mg2.12Na0.58O18.53[OH]3Si5.90
  • Published Formula: (Na0.58Ag0.18)(Al1.54Mg1.46)(Al5.34Mg0.66)(Si5.90Al0.10)O18(BO3)3(OH)3(O0.53F0.47)
  • Refined Formula: Ag0.18Al6.98B3F0.47H3Mg2.12Na0.58O30.53Si5.90
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.09 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1212757

  • 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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