data_global
_chemical_name_mineral 'Fresnoite'
loop_
_publ_author_name
'Moore P B'
'Louisnathan S J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 130 
_journal_year 1969
_journal_page_first 438
_journal_page_last 448
_publ_section_title
;
 The crystal structure of fresnoite, Ba2(TiO)Si2O7
 Negative polarity
;
_database_code_amcsd 0010705
_chemical_compound_source 'sanbornite deposits of eastern Fresno County, California, USA'
_chemical_formula_sum 'Ba2 Ti Si2 O8'
_cell_length_a 8.518
_cell_length_b 8.518
_cell_length_c 5.211
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 378.091
_exptl_crystal_density_diffrn      4.451
_symmetry_space_group_name_H-M 'P 4 b m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '-y,x,z'
  '1/2+x,1/2-y,z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  'y,-x,z'
  '1/2-x,1/2+y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba   0.32720   0.82720   0.00000   0.01127
Ti   0.00000   0.00000   0.53850   0.00215
Si   0.12810   0.62810   0.51360   0.00494
O1   0.00000   0.50000   0.60910   0.02102
O2   0.12410   0.62410   0.20190   0.00595
O3   0.28970   0.57580   0.64960   0.01558
O4   0.00000   0.00000   0.21780   0.01216