data_global
_chemical_name_mineral 'Hilgardite'
loop_
_publ_author_name
'Rumanova I M'
'Iorysh Z I'
'Belov N V'
_journal_name_full 'Soviet Physics Doklady'
_journal_volume 22 
_journal_year 1977
_journal_page_first 460
_journal_page_last 462
_publ_section_title
;
 Crystal structure of triclinic chilgardite Ca2[B5O9]Cl*H2O =
 Ca2[B3+-B2deltaO9]Cl*H2O
 Note: polytype hilgardite-1A
;
_database_code_amcsd 0015604
_chemical_compound_source 'not given'
_chemical_formula_sum 'Ca2 B5 O10 Cl H2'
_cell_length_a 6.463
_cell_length_b 6.564
_cell_length_c 6.302
_cell_angle_alpha 61.63
_cell_angle_beta 118.77
_cell_angle_gamma 105.78
_cell_volume 205.878
_exptl_crystal_density_diffrn      2.675
_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
Ca1   0.00000   0.00000   0.00000   0.01621
Ca2   0.54620   0.45270  -0.11250   0.01659
B1   0.52580   0.12800   0.53130   0.00988
B2   0.66780  -0.08930   0.39640   0.01153
B3   0.44590  -0.02330  -0.07140   0.01229
B4   0.11830  -0.00480   0.51980   0.01191
B5   0.55240   0.57770   0.28960   0.01165
O2   0.55230   0.35670   0.32590   0.01545
O3   0.27730   0.03720   0.41600   0.01520
O4   0.57860   0.14560   0.77500   0.01267
O5   0.69130  -0.02920   0.59870   0.01368
O6   0.89140  -0.05130   0.36390   0.01646
O7   0.60730   0.64890   0.48230   0.01545
O8   0.49140   0.03290   0.14180   0.01406
O9   0.19040  -0.01310  -0.23640   0.01558
O10   0.51500   0.73610   0.03060   0.01532
Cl   0.02140   0.52650   0.19240   0.02128
Wat   0.11070   0.41690  -0.22120   0.02558