#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106809.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106809
loop_
_publ_author_name
'Steinfink, H.'
'Brunton, G.D.'
_publ_section_title
;
 The crystal structure of Cs Be F3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              807
_journal_page_last               810
_journal_volume                  24
_journal_year                    1968
_chemical_formula_sum            'Be Cs F3'
_chemical_name_systematic        'Cs Be F3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.828
_cell_length_b                   6.004
_cell_length_c                   12.794
_cell_volume                     370.864
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Steinfink_ACBCAR_1968_1123.cif
_cod_data_source_block           Be1Cs1F3
_cod_original_cell_volume        370.8637
_cod_original_formula_sum        'Be1 Cs1 F3'
_cod_database_code               2106809
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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 0.24 0.039 0.879 1 0.0
F2 F-1 0.884 0.25 0.782 1 0.0
Be1 Be+2 0.686 0.25 0.68 1 0.0
Cs1 Cs+1 0.2641 0.25 0.1063 1 0.0
