data_global
_chemical_name_mineral 'Gillespite'
loop_
_publ_author_name
'Knight K S'
'Marshall W G'
'Henderson C M B'
'Chamberlain A A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 25 
_journal_year 2013
_journal_page_first 909
_journal_page_last 917
_publ_section_title
;
 Equation of state and a high-pressure structural phase transition
 in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Note: P = 4.77 GPa
;
_database_code_amcsd 0020152
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Ba.5 Sr.5) Cu Si4 O10'
_cell_length_a 7.2623
_cell_length_b 7.2623
_cell_length_c 15.252
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 804.406
_exptl_crystal_density_diffrn      3.702
_symmetry_space_group_name_H-M 'P 4 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+y,1/2+x,-z'
  '1/2-y,x,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '-y,-x,-z'
  'y,1/2-x,z'
  '1/2+x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba   0.25000   0.75000   0.00020   0.50000
Sr   0.25000   0.75000   0.00020   0.50000
Cua   0.25000   0.25000   0.07330   1.00000
Cub   0.25000   0.25000   0.58200   1.00000
Sia   0.51770   0.92440   0.15190   1.00000
Sib   0.94610   0.51340   0.64850   1.00000
O1a   0.50550   0.93380   0.25790   0.50000
O1b   0.93770   0.50970   0.75560   0.50000
O2a   0.71370   0.00100   0.12040   1.00000
O2b   0.00150   0.72680   0.63840   1.00000
O3a   0.35380   0.04130   0.10960   1.00000
O3b   0.04040   0.39300   0.57140   1.00000