data_global
_chemical_name_mineral 'Barberiite'
loop_
_publ_author_name
'Clark M J R'
'Lynton H'
_journal_name_full 'Canadian Journal of Chemistry'
_journal_volume 47 
_journal_year 1969
_journal_page_first 2579
_journal_page_last 2586
_publ_section_title
;
 Crystal structures of potassium, ammonium, rubidium and cesium
 tetrafluoroborates
;
_database_code_amcsd 0012155
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N B F4'
_cell_length_a 7.278
_cell_length_b 9.072
_cell_length_c 5.678
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 374.896
_exptl_crystal_density_diffrn      1.786
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
NH4   0.16420   0.18539   0.25000
B   0.69207   0.06051   0.25000
F1   0.61017  -0.07653   0.25000
F2   0.56426   0.17280   0.25000
F3   0.80393   0.07559   0.04994
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
NH4 0.02683 0.02443 0.03402 -0.00161 -0.00226 -0.00039
B 0.01849 0.02222 0.02100 -0.00151 0.00576 -0.00308
F1 0.07020 0.04007 0.07196 -0.03395 0.00521 -0.00089
F2 0.03293 0.05258 0.05524 0.02014 -0.00324 -0.00217
F3 0.03886 0.04194 0.02605 0.00415 0.00789 0.00055