data_global
_chemical_name_mineral 'Jadarite'
loop_
_publ_author_name
'Whitfield P S'
'Le Page Y'
'Grice J D'
'Stanley C J'
'Jones G C'
'Rumsey M S'
'Blake C'
'Roberts A C'
'Stirling J A R'
'Carpenter G J C'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 63 
_journal_year 2007
_journal_page_first 396
_journal_page_last 401
_publ_section_title
;
 LiNaSiB3O7(OH) - novel structure of the new borosilicate mineral jadarite
 determined from laboratory powder diffraction data
;
_database_code_amcsd 0009954
_chemical_compound_source 'Jadar basin, Serbia'
_chemical_formula_sum 'Li Na Si B3 O8 H'
_cell_length_a 6.7620
_cell_length_b 13.8016
_cell_length_c 7.6878
_cell_angle_alpha 90
_cell_angle_beta 124.089
_cell_angle_gamma 90
_cell_volume 594.190
_exptl_crystal_density_diffrn      2.453
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
Li   0.46200   0.19950   0.13830   0.04600
Na   0.97330   0.99060   0.75440   0.07640
Si   0.03780   0.75390   0.20480   0.05840
B1   0.20960   0.16020   0.66230   0.09100
B2   0.69200   0.34930   0.41600   0.05400
B3   0.52900   0.50220   0.78600   0.09470
O1   0.81570   0.72410   0.98950   0.06510
O2   0.26730   0.78180   0.21020   0.06630
O3   0.97330   0.84830   0.28730   0.05810
O4   0.11500   0.65840   0.34910   0.05420
O5   0.74570   0.55060   0.87610   0.07080
O6   0.68460   0.45600   0.35200   0.05700
O7   0.54890   0.67250   0.61980   0.06340
O8   0.52990   0.40510   0.83620   0.07330
H   0.69900   0.39930   0.93600   0.09530
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 0.09100 0.06570 0.08100 0.01000 0.03800 -0.00460
B3 0.04600 0.15800 0.09800 0.01600 0.04300 0.07800