data_global
_chemical_name_mineral 'Barylite'
loop_
_publ_author_name
'Di Domizio A J'
'Downs R T'
'Yang H'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 68 
_journal_year 2012
_journal_page_first i78
_journal_page_last i79
_publ_section_title
;
 Redetermination of clinobarylite, BaBe2Si2O7
 Note: polytype barylite-1O
;
_database_code_amcsd 0019463
_chemical_compound_source 'Yukspor Mountain, Khibiny Massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Ba Be2 Si2 O7'
_cell_length_a 11.6491
_cell_length_b 4.9175
_cell_length_c 4.6746
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 267.782
_exptl_crystal_density_diffrn      4.012
_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   0.20316   0.59050   0.00932
Be   0.75108   0.16930   0.08490   0.00700
Si   0.62826   0.67528   0.06920   0.00526
O1   0.63895   0.35600   0.13670   0.00730
O2   0.77699   0.13400  -0.27020   0.00660
O3   0.50000   0.77640   0.17930   0.00770
O4   0.63272   0.72950  -0.27160   0.00820
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 0.01102 0.00872 0.00823 0.00000 0.00000 0.00004
Be 0.00520 0.00710 0.00870 -0.00010 -0.00200 0.00170
Si 0.00460 0.00420 0.00700 -0.00035 0.00000 -0.00010
O1 0.00770 0.00550 0.00880 0.00070 0.00220 0.00110
O2 0.00790 0.00510 0.00670 -0.00080 0.00070 0.00030
O3 0.00450 0.00820 0.01030 0.00000 0.00000 -0.00240
O4 0.00750 0.01090 0.00640 -0.00160 -0.00070 0.00000