#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/46/9014676.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_9014676
loop_
_publ_author_name
'Pontonnier, L.'
'Caillet, M.'
'Aleonard, S.'
_publ_section_title
;
 Etude des systemes Me(I)2 Be F4 - Na2 Be F4
 _cod_database_code 1008068
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              799
_journal_page_last               812
_journal_paper_doi               10.1016/0025-5408(72)90130-4
_journal_volume                  7
_journal_year                    1972
_chemical_formula_sum            'Be2 F8 Na Rb3'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.805
_cell_length_b                   5.805
_cell_length_c                   7.556
_cell_formula_units_Z            1
_cell_volume                     220.509
_database_code_amcsd             0016010
_exptl_crystal_density_diffrn    3.384
_cod_duplicate_entry             1008068
_cod_original_formula_sum        'Na Rb3 Be2 F8'
_cod_database_code               9014676
_amcsd_formula_title             'Be F4 Na0.5 Rb1.5'
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 0.00000 0.00000 0.00000
Rb1 0.00000 0.00000 0.50000
Rb2 0.33333 0.66667 0.14500
Be1 0.33333 0.66667 0.74300
F1 0.33333 0.66667 0.54200
F2 0.18800 -0.18800 -0.17300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016010
