data_global
_chemical_name_mineral 'Teepleite'
loop_
_publ_author_name
'Effenberger H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 38 
_journal_year 1982
_journal_page_first 82
_journal_page_last 85
_publ_section_title
;
 Verfeinerung der kristallstruktur von synthetischem teepleit
;
_database_code_amcsd 0009750
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na2 Cl B O4 H4'
_cell_length_a 7.260
_cell_length_b 7.260
_cell_length_c 4.847
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 255.474
_exptl_crystal_density_diffrn      2.083
_symmetry_space_group_name_H-M 'P 4/n m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,1/2+x,-z'
  'y,1/2-x,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na   0.00000   0.00000   0.50000   0.01596
Cl   0.25000   0.25000   0.73310   0.01343
B   0.75000   0.25000   0.00000   0.00975
O   0.25000  -0.08810   0.18570   0.01330
H   0.25000   0.00600   0.07200   0.00633
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
Na 0.01602 0.01602 0.01583 -0.00240 -0.00071 -0.00071
Cl 0.01202 0.01202 0.01595 0.00000 0.00000 0.00000
B 0.01015 0.01015 0.00905 0.00000 0.00000 0.00000
O 0.01736 0.01015 0.01238 0.00000 0.00000 0.00000