#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015941.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015941
loop_
_publ_author_name
'Ghalsasi, Pallavi'
'Ghalsasi, Prasanna S.'
_publ_section_title
;
 Single Crystal X-Ray Structure of BeF2: α-Quartz
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   1
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              86
_journal_page_last               89
_journal_paper_doi               10.1021/ic101248g
_journal_volume                  50
_journal_year                    2011
_chemical_compound_source        synthetic
_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_length_a                   4.7390
_cell_length_b                   4.7390
_cell_length_c                   5.1875
_cell_formula_units_Z            3
_cell_volume                     100.893
_exptl_crystal_density_diffrn    2.321
_cod_duplicate_entry             4324085
_cod_database_code               9015941
_amcsd_formula_title             BeF2
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
-y,x-y,1/3+z
-x,-x+y,1/3-z
-x+y,-x,2/3+z
x-y,-y,2/3-z
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
Be 0.01800 0.01600 0.01700 0.00800 0.00100 0.00100
F 0.03200 0.02400 0.02800 0.01800 0.00600 0.00900
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Be 0.47000 0.00000 0.33333 0.01700
F 0.41640 0.26710 0.21310 0.02600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018307
