data_global
_chemical_name_mineral 'Barylite'
loop_
_publ_author_name
'Krivovichev S V'
'Yakovenchuk V N'
'Armbruster T'
'Mikhailova Y'
'Pakhomovsky Y A'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 2004 
_journal_year 2004
_journal_page_first 373
_journal_page_last 384
_publ_section_title
;
 Clinobarylite, BaBe2Si2O7: Structure refinement, and revision of symmetry and
 physical properties
 Note: polytype barylite-1O
;
_database_code_amcsd 0014931
_chemical_compound_source 'Khibina alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Ba Be2 Si2 O7'
_cell_length_a 11.650
_cell_length_b 4.922
_cell_length_c 4.674
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 268.013
_exptl_crystal_density_diffrn      4.009
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba   0.50000   0.20270   0.50790   0.01270
Be   0.75195   0.16710  -0.01470   0.00670
Si   0.62820   0.67564  -0.01410   0.00640
O1   0.63911   0.35210  -0.94360   0.00440
O2   0.77733   0.13400  -0.35340   0.00720
O3   0.50000   0.77410  -0.07670   0.01440
O4   0.63300   0.73240  -0.35500   0.00910
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 0.01354 0.01192 0.01256 0.00000 0.00000 -0.00020
Si 0.00440 0.00579 0.00900 0.00240 -0.00100 -0.00330