data_2009488
loop_
_publ_author_name
'Akimoto, J.'
'Gotoh, Y.'
'Oosawa, Y.'
_publ_section_title
;
 Refinement of hexagonal BaTiO₃
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              160
_journal_paper_doi               10.1107/S0108270193008637
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     'Ba Ti O3'
_chemical_formula_sum            'Ba O3 Ti'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.7238(7)
_cell_length_b                   5.7238(7)
_cell_length_c                   13.9649(7)
_diffrn_ambient_temperature      296
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-y,+x-y,+z
-x+y,-x,+z
-x,-y,1/2+z
+y,-x+y,1/2+z
+x-y,+x,1/2+z
+y,+x,-z
+x-y,-y,-z
-x,-x+y,-z
-y,-x,1/2-z
-x+y,+y,1/2-z
+x,+x-y,1/2-z
-x,-y,-z
+y,-x+y,-z
+x-y,+x,-z
+x,+y,1/2-z
-y,+x-y,1/2-z
-x+y,-x,1/2-z
-y,-x,+z
-x+y,+y,+z
+x,+x-y,+z
+y,+x,1/2+z
+x-y,-y,1/2+z
-x,-x+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba(1) 0 0 0.25
Ba(2) 0.333333333333333 0.666666666666667 0.09671(5)
Ti(1) 0 0 0
Ti(2) 0.333333333333333 0.666666666666667 0.84633(14)
O(1) 0.5185(6) 0.0370 0.25
O(2) 0.8349(6) 0.6698 0.0802(2)
