#------------------------------------------------------------------------------
#$Date: 2024-12-10 18:15:29 +0200 (Tue, 10 Dec 2024) $
#$Revision: 296821 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008034.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_9008034
loop_
_publ_author_name
'Hultgren, R.'
_publ_section_title
;
 The crystal structure of ammonium beryllium fluoride, (NH4)2BeF4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               237
_journal_volume                  88
_journal_year                    1934
_chemical_formula_structural     (NH4)2BeF4
_chemical_formula_sum            'Be F4 H8 N2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8
_cell_length_b                   10.2
_cell_length_c                   7.5
_cell_volume                     443.700
_database_code_amcsd             0010535
_exptl_crystal_density_diffrn    1.692
_cod_duplicate_entry             1010255
_cod_original_formula_sum        'N2 Be F4'
_cod_database_code               9008034
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
N1 N 0.25000 0.39300 0.67500 4
N2 N 0.25000 -0.32500 -0.04600 4
Be Be 0.25000 0.41700 0.26300 0
F1 F 0.25000 0.39000 0.05100 0
F2 F 0.25000 0.57300 0.30000 0
F3 F 0.02400 0.35300 0.35000 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2024-12-10T18:14:27+02:00
;
 Added the '_atom_site_type_symbol' data item and updated the
 '_chemical_formula_sum' data value to include the attached hydrogen atoms.
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010535
