Advisor Information
Robert Smith
Location
Dr. C.C. and Mabel L. Criss Library
Presentation Type
Poster
Start Date
2-3-2018 9:00 AM
End Date
2-3-2018 10:15 AM
Abstract
Na2Ga2(BO3)2O is an oxyborate with a reported crystal structure in the trigonal space group P1c. The literature states that the three-dimensional structure is created from infinite stacking of parallel [NaGa2(BO3)2] ∞ sheets separated by sodium layers. Our single-crystal X-ray diffraction data requires some modification to this structure. We believe that Na2Ga2(BO3)2O actually possesses a supercell crystal structure with lower symmetry. The borate anions within the [NaGa2(BO3)2 ] sheets are not parallel to each other, but slightly tilted. This slight off-parallel characteristic creates very small supercell peaks in the X-ray diffraction pattern. The supercell crystal has the space group Pwith cell parameters doubled along the a- and b-axes and tripled along the c-axis; the cell volume is thus 12 times larger than in the reported structure.
Supercell Crystal Structure of Na2Ga2(BO3)2
Dr. C.C. and Mabel L. Criss Library
Na2Ga2(BO3)2O is an oxyborate with a reported crystal structure in the trigonal space group P1c. The literature states that the three-dimensional structure is created from infinite stacking of parallel [NaGa2(BO3)2] ∞ sheets separated by sodium layers. Our single-crystal X-ray diffraction data requires some modification to this structure. We believe that Na2Ga2(BO3)2O actually possesses a supercell crystal structure with lower symmetry. The borate anions within the [NaGa2(BO3)2 ] sheets are not parallel to each other, but slightly tilted. This slight off-parallel characteristic creates very small supercell peaks in the X-ray diffraction pattern. The supercell crystal has the space group Pwith cell parameters doubled along the a- and b-axes and tripled along the c-axis; the cell volume is thus 12 times larger than in the reported structure.