data_global
_chemical_name_mineral 'Gillespite'
loop_
_publ_author_name
'Miletich R'
'Allan D R'
'Angel R J'
_journal_name_full 'American Mineralogist'
_journal_volume 82 
_journal_year 1997
_journal_page_first 697
_journal_page_last 707
_publ_section_title
;
 The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
 the gillespite-type ABSi4O10 series
 BaCrSi4O10
;
_database_code_amcsd 0001911
_chemical_formula_sum 'Ba Cr Si4 O10'
_cell_length_a 7.5314
_cell_length_b 7.5314
_cell_length_c 16.0518
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 910.490
_exptl_crystal_density_diffrn      3.368
_symmetry_space_group_name_H-M 'P 4/n c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2-z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,1/2+x,-z'
  'y,1/2-x,z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba   0.25000   0.75000   0.00000
Cr   0.25000   0.25000   0.09181
Si   0.51961   0.93512   0.15441
O1   0.47275   0.97275   0.25000
O2   0.72301   0.99639   0.13722
O3   0.39096   0.02503   0.08973
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 0.01871 0.01871 0.01527 0.00000 0.00000 0.00000
Cr 0.01204 0.01204 0.02219 0.00000 0.00000 0.00000
Si 0.01411 0.01417 0.01462 0.00092 0.00043 -0.00049
O1 0.04397 0.04397 0.01645 -0.00580 0.00857 -0.00857
O2 0.01276 0.02733 0.02650 -0.00213 -0.00043 0.00410
O3 0.02014 0.01563 0.03329 0.00351 -0.00925 -0.00404