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#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511453.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_1511453
loop_
_publ_author_name
'Pavlyuchenko, V.S.'
'Bakakin, V.V.'
'Alekseev, V.I.'
'Baidina, I.A.'
'Podberezskaya, N.V.'
'Batsanova, L.R.'
_publ_section_title
;
 Crystal structure of beryllium fluoride borate B2 (B O3) F
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              125
_journal_page_last               129
_journal_volume                  19
_journal_year                    1978
_chemical_formula_sum            'B Be2 F O3'
_chemical_name_systematic        'Be2 (B O3) F'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.08
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.687
_cell_length_b                   4.439
_cell_length_c                   8.699
_cell_volume                     283.741
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            boron0-1_79.cif
_cod_data_source_block           B1Be2F1O3
_cod_original_cell_volume        283.7408
_cod_original_formula_sum        'B1 Be2 F1 O3'
_cod_database_code               1511453
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
O1 O-2 0 0.0608 0.75 1 0.0
F1 F-1 0.25 0.25 0 1 0.0
Be1 Be+2 0.1867 0.2511 0.8186 1 0.0
B1 B+3 0 -0.2497 0.75 1 0.0
O2 O-2 0.1544 0.4058 0.2478 1 0.0
