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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Serendibite, a complicated, new, inorganic crystal structure.
M J Buerger1, V Venkatakrishnan
1Institute of Materials Science, University of Connecticut, Storrs, Conn. 06268.
Serendibite crystal structure was elucidated using direct methods and Fourier syntheses. Its unique framework comprises interrupted brucite-type layers and tetrahedral chains, distinct from similar minerals.
Area of Science:
- Mineralogy
- Crystallography
- Geochemistry
Background:
- Serendibite is a rare borosilicate mineral found in specific geological locations.
- Previous analyses indicated similarities between serendibite samples from Ceylon and New York.
- Understanding the precise crystal structure is crucial for mineral classification and property prediction.
Purpose of the Study:
- To determine the detailed crystal structure of serendibite.
- To compare its structural features with related minerals like sapphirine and aenigmatite.
- To provide a comprehensive crystallographic description of this rare mineral.
Main Methods:
- Structure solution using direct methods applied to the three-dimensional Patterson function.
- Approximation of electron density using conjugate peaks and minimum functions.
- Refinement through successive Fourier syntheses and least-squares methods to a residual R-factor of 7.1%.
Main Results:
- The triclinic crystal structure (space group P1) of serendibite was solved and refined.
- The unit cell volume is 670.9 ų and contains 2Ca(1.64)Mg(2.64)Fe(0.27)(II)Al(4.64)B(1.66)Si(3)O(20).
- The structure features interrupted brucite-type layers and winged single tetrahedral chains, with 14 metal atoms and 20 oxygen atoms in the asymmetric unit.
Conclusions:
- The solved structure of serendibite reveals a unique arrangement of octahedral layers and tetrahedral chains.
- Geometrically similar structural units to sapphirine and aenigmatite are present but assembled differently.
- This detailed structural analysis contributes to the understanding of rare borosilicate minerals and their formation.
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