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#$Date: 2025-08-21 01:40:30 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301839 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/33/14/4331429.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4331429
loop_
_publ_author_name
'Keszler, D.A.'
'Schaffers, K.I.'
_publ_section_title
;
 Tetrahedral triangular 3-D framework and europium luminescence in the
 borate BaBe2(BO3)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1201
_journal_page_last               1204
_journal_paper_doi               10.1021/ic00084a038
_journal_volume                  33
_journal_year                    1994
_chemical_formula_sum            'B2 Ba Be2 O6'
_chemical_name_systematic        'Ba Be2 (B O3)2'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.725
_cell_length_b                   13.004
_cell_length_c                   6.286
_cell_volume                     958.438
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            boron_3.cif
_cod_data_source_block           B2Ba1Be2O6
_cod_original_cell_volume        958.4384
_cod_original_formula_sum        'B2 Ba1 Be2 O6'
_cod_database_code               4331429
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
-x,-y+1/2,-z+1/2
x-1/4,y+1/4,-z+1/2
-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
x+1/2,y,z+1/2
-x+3/4,-y+1/4,z+1/2
x+1/2,-y+1/4,-z+3/4
-x+3/4,y,-z+3/4
-x+1/2,-y,-z+1/2
x+1/4,y-1/4,-z+1/2
-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,z-1/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B1 B+3 0.3397 0.125 0.125 1 0.0
O1 O-2 0.2227 0.125 0.125 1 0.0
Ba1 Ba+2 0.625 0.125 0.125 1 0.0
O2 O-2 0.398 0.2141 0.0828 1 0.0
Be1 Be+2 0.375 0.2821 0.875 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139138168
