data_global
_chemical_name_mineral 'Colinowensite'
loop_
_publ_author_name
'Sparta K M'
'Roth G'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 60 
_journal_year 2004
_journal_page_first 491
_journal_page_last 495
_publ_section_title
;
 Reinvestigation of the structure of BaCuSi2O6 - evidence for a phase
 transition at high temperature
 Note: T = 293 K
;
_database_code_amcsd 0018747
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba Cu Si2 O6'
_cell_length_a 10.0091
_cell_length_b 10.0091
_cell_length_c 22.467
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2250.791
_exptl_crystal_density_diffrn      4.167
_symmetry_space_group_name_H-M 'I 41/a c d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4-y,3/4-x,3/4+z'
  '3/4-y,1/4-x,1/4+z'
  '1/4+y,3/4+x,3/4-z'
  '3/4+y,1/4+x,1/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,3/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba   0.25000   0.98870   0.50000
Cu   0.00000   0.25000   0.06374
Si   0.27554   0.75110   0.87600
O1   0.19160   0.72180   0.81660
O2   0.37250   0.87860   0.85939
O3   0.30750   0.78130   0.06390
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba 0.01320 0.01200 0.01251 0.00000 -0.00180 0.00000
Cu 0.00890 0.00920 0.01230 0.00000 0.00000 0.00000
Si 0.00780 0.00690 0.01400 0.00020 -0.00700 -0.00080
O1 0.01000 0.01600 0.01700 0.00500 0.00300 0.00200
O2 0.01600 0.01500 0.03700 -0.00240 -0.00300 0.00200
O3 0.00800 0.01500 0.01900 -0.00400 0.00200 0.01200