data_global
_chemical_name_mineral 'Sibirskite'
loop_
_publ_author_name
'Miura H'
'Kusachi I'
_journal_name_full 'Journal of Mineralogical and Petrological Sciences'
_journal_volume 103 
_journal_year 2008
_journal_page_first 156
_journal_page_last 160
_publ_section_title
;
 Crystal structure of sibirskite (CaHBO3) by
 Monte Carlo simulation and Rietveld refinement
;
_database_code_amcsd 0013135
_chemical_compound_source 'Fuka, Okayama, Japan'
_chemical_formula_sum 'Ca B O3 H'
_cell_length_a 8.643
_cell_length_b 9.523
_cell_length_c 3.567
_cell_angle_alpha 90
_cell_angle_beta 119.23
_cell_angle_gamma 90
_cell_volume 256.206
_exptl_crystal_density_diffrn      2.590
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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
Ca   0.21300  -0.00700   0.50800   0.06713
B   0.57400   0.23600  -0.13800   0.02533
O1   0.07600   0.11800   0.82900   0.06231
O2   0.70800   0.14700   0.89600   0.04331
O-H3   0.42800   0.17400  -0.13500   0.08283