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 (1)
;
_database_code_amcsd 0009397
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca B2 (O10 H12)'
_cell_length_a 16.07999
_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 826.466
_exptl_crystal_density_diffrn      1.879
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.00000  -0.02900   0.25000
B   0.09100   0.27100   0.06500
O-H1  -0.00300   0.22100   0.03300
O-H2   0.13300   0.12800   0.20200
O-H3   0.11300   0.24600  -0.09900
O-H4   0.10900   0.47700   0.12400
Wat5   0.21300   0.21000   0.55300