data_global
_chemical_name_mineral 'Hilgardite'
loop_
_publ_author_name
'Burns P C'
'Hawthorne F C'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 50 
_journal_year 1994
_journal_page_first 653
_journal_page_last 655
_publ_section_title
;
 Refinement of the structure of hilgardite-1A
 Note: polytype Hilgardite-1A
;
_database_code_amcsd 0010290
_chemical_compound_source 'Penobsquis potash deposit, Sussex, New Brunswick'
_chemical_formula_sum 'Ca2 B5 O10 Cl H2'
_cell_length_a 6.452
_cell_length_b 6.559
_cell_length_c 6.286
_cell_angle_alpha 61.60
_cell_angle_beta 118.72
_cell_angle_gamma 105.86
_cell_volume 204.867
_exptl_crystal_density_diffrn      2.688
_symmetry_space_group_name_H-M 'P 1'
loop_
_space_group_symop_operation_xyz
  '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
Cal   0.00000   0.00000   0.00000   0.00880
Ca2   0.45240   0.54840   0.10990   0.00990
B1   0.47410   0.87070   0.47130   0.00470
B2   0.33060   0.09090   0.60160   0.00500
B3   0.55150   0.02450   0.07130   0.00620
B4   0.88230   0.00300   0.48370   0.00740
B5   0.44760   0.42110   0.71380   0.00720
O2   0.44770   0.64240   0.67500   0.00910
O3   0.72210   0.96300   0.58490   0.00800
O4   0.42050   0.85250   0.22580   0.00620
O5   0.30810   0.02760   0.40280   0.00660
O6   0.10800   0.05180   0.63720   0.00960
O7   0.39460   0.34990   0.51940   0.00870
O8   0.51190   0.96520   0.86200   0.00620
O9   0.81050   0.01020   0.23800   0.00920
O10   0.48510   0.26340   0.97060   0.00790
Cl   0.97960   0.47300   0.81210   0.01550
Wat   0.88620   0.58130   0.22180   0.02130