data_9015016
_publ_section_title
;
 The crystal structures of rubidium and ammonium fluoborates
 _cod_database_code 1011135
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1985
_journal_page_last               1988
_journal_paper_doi               10.1021/ja01313a067
_journal_volume                  57
_journal_year                    1935
_chemical_formula_sum            'B F4 N'
_chemical_name_mineral           Barberiite
_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_length_a                   9.06
_cell_length_b                   5.64
_cell_length_c                   7.23
_cell_volume                     369.441
_database_code_amcsd             0018024
_exptl_crystal_density_diffrn    1.812
_[local]_cod_chemical_formula_sum_orig 'N B F4'
_cod_database_code               9015016
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
NH4 0.30800 0.25000 0.32800
B1 0.94700 0.25000 0.69700
F1 0.08600 0.25000 0.60300
F2 0.83000 0.25000 0.56300
F3 0.93600 0.04300 0.81100
