data_global
_chemical_name_mineral 'Hexahydroborite'
loop_
_publ_author_name
'Sedlacek P'
'Dornberger-Schiff K'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 27 
_journal_year 1971
_journal_page_first 1532
_journal_page_last 1541
_publ_section_title
;
 An OD-Disordered modification of the calcium monoborate dihydrate
 Ca[B(OH)4]2*2H2O
 Sample: MDO (2)
;
_database_code_amcsd 0009398
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca B2 (O10 H12)'
_cell_length_a 8.04
_cell_length_b 6.69
_cell_length_c 7.95
_cell_angle_alpha 90
_cell_angle_beta 104.9
_cell_angle_gamma 90
_cell_volume 413.233
_exptl_crystal_density_diffrn      1.879
_symmetry_space_group_name_H-M 'P 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.00000  -0.03000   0.25000
B   0.18200   0.26400   0.07000
O-H1  -0.00800   0.22600   0.03500
O-H2   0.26600   0.12600   0.19800
O-H3   0.22400   0.24700  -0.09700
O-H4   0.21600   0.47700   0.12600
Wat5   0.42600   0.20800   0.54900