data_global
_chemical_name_mineral 'Barberiite'
loop_
_publ_author_name
'Caron A P'
'Ragle J L'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 27 
_journal_year 1971
_journal_page_first 1102
_journal_page_last 1107
_publ_section_title
;
 Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4
;
_database_code_amcsd 0019268
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'F4 B N H4'
_cell_length_a 9.077
_cell_length_b 5.679
_cell_length_c 7.279
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 375.220
_exptl_crystal_density_diffrn      1.856
_symmetry_space_group_name_H-M 'P n m a'
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
F1   0.07520   0.25000   0.61110
F2   0.82830   0.25000   0.56370
F3   0.92410   0.05170   0.80300
B   0.94030   0.25000   0.69310
N   0.31400   0.25000   0.33600
H1   0.22500   0.25000   0.34600
H2   0.32700   0.25000   0.23400
H3   0.34600   0.12100   0.37200
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
F1 0.04675 0.08251 0.08079 0.00000 0.06594 0.00000
F2 0.06637 0.06013 0.03731 0.00000 -0.03950 0.00000
F3 0.05802 0.03872 0.04375 0.00366 -0.00234 0.01633
B 0.03965 0.03889 0.02872 0.00000 0.00167 0.00000
N 0.03005 0.04477 0.03167 0.00000 -0.00134 0.00000