Inorganic Solid Phases

Ca(Li₂Al)Al₆(Si₆O₁₈)(BO₃)₃(OH)₃F (Na_0.3Li_1.6Ca_0.55Mn_0.2Al_7.2Si₆[BO₃]₃O₁₈[OH]_3.3F_0.7) Crystal Structure

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General Information

Phase Label(s): Na_0.3Li_1.6Ca_0.55Mn_0.2Al_7.2Si₆[BO₃]₃O₁₈[OH]_3.3F_0.7
Structure Class(es): tourmaline family
Classification by Properties: –
Mineral Name(s): fluor-liddicoatite
Pearson Symbol: hR150
Space Group: 160
Phase Prototype: NaMg₃Al₆Si₆[BO₃]₃O₁₈([OH]_0.75F_0.25)₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P3 (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; 1095 reflections; F > 4σ(F), R = 0.0173; wR = 0.0427
Sample Detail(s): liddicoatite sample from Madagascar (Malagasy Republic), Anjanabonoina, electron microprobe analysis; (Ca_0.510Na_0.408Pb²⁺_0.026_0.056)(Ti⁴⁺_0.001Al_1.190Fe³⁺_0.002Fe²⁺_0.025Mn²⁺_0.424Li_1.358)Al₆Si_5.921O₁₈[BO₃]₃[OH]_3.248F_0.752, single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: Na_0.4Li_1.35Ca_0.5Mn_0.4Al_7.15Si₆[BO₃]₃O₁₈[OH]_3.25F_0.75
Alphabetic Formula: Al_7.15[BO₃]₃Ca_0.5F_0.75Li_1.35Mn_0.4Na_0.4O₁₈[OH]_3.25Si₆
Published Formula: Ca(Li₂Al)Al₆(Si₆O₁₈)(BO₃)₃(OH)₃F
Refined Formula: Al_7.19B₃Ca_0.51F_0.75Fe_0.03H_3.25Li_1.36Mn_0.42Na_0.41O_30.25Pb_0.03Si₆
Wyckoff Sequence: 160,c⁶b⁶a
Z Formula Units: 3
Density: ρ = 3.07 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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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.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1226245

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.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials Ca(Li2Al)Al6(Si6O18)(BO3)3(OH)3F (Na0.3Li1.6Ca0.55Mn0.2Al7.2Si6[BO3]3O18[OH]3.3F0.7) Crystal Structure sd_1226245 (Springer-Verlag GmbH, Heidelberg, © 2016)

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