#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/10/1531002.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_1531002
loop_
_publ_author_name
'Wright, A.F.'
'Fitch, A.N.'
'Wright, A.C.'
_publ_section_title
;
 The preparation and structure of the alpha- and beta-quartz polymorphs of
 beryllium fluoride
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              298
_journal_page_last               304
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Be F2'
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.806
_cell_length_b                   4.806
_cell_length_c                   5.2404
_cell_volume                     104.824
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wright_JSSCBI_1988_1660.cif
_cod_data_source_block           Be1F2
_cod_original_cell_volume        104.8245
_cod_original_sg_symbol_Hall     'P 62 2 (x,y,z+1/3)'
_cod_original_formula_sum        'Be1 F2'
_cod_database_code               1531002
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/3
-y,x-y,z+2/3
-x,-y,z
-x+y,-x,z+1/3
y,-x+y,z+2/3
-y,-x,-z+2/3
x-y,-y,-z
x,x-y,-z+1/3
y,x,-z+2/3
-x+y,y,-z
-x,-x+y,-z+1/3
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
F1 F-1 0.4204 0.2497 0.1477 0.5 0.0
Be1 Be+2 0.4806 0 0 0.5 0.0
