#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/72/1537223.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_1537223
loop_
_publ_author_name
'Lacks, D.J.'
'Gordon, R.G.'
_publ_section_title
;
 Crystal-structure calculations with distorted ions
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              2889
_journal_page_last               2908
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Be F2'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.688
_cell_length_b                   4.688
_cell_length_c                   5.185
_cell_volume                     98.686
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Lacks_PRBMDO_1993_1888.cif
_cod_data_source_block           Be1F2
_cod_original_cell_volume        98.68579
_cod_original_formula_sum        'Be1 F2'
_cod_database_code               1537223
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
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
Be1 Be+2 0.47 0 0.3333 1 0.0
F1 F-1 0.419 0.269 0.213 1 0.0
