data_global
_chemical_name_mineral 'Jarandolite'
loop_
_publ_author_name
'Yamnova N A'
'Egorov-Tismenko Y K'
'Malinko S V'
'Pushcharovskii D Y'
'Dorokhova G I'
_journal_name_full 'Crystallography Reports'
_journal_volume 39 
_journal_year 1994
_journal_page_first 991
_journal_page_last 993
_publ_section_title
;
 Crystal structure of a new natural calcium hydroborate Ca[B3O4(OH)3]
;
_database_code_amcsd 0012346
_chemical_compound_source 'Belgrade, Serbia, Yugoslavia'
_chemical_formula_sum 'Ca B3 O7 H3'
_cell_length_a 8.386
_cell_length_b 8.142
_cell_length_c 7.249
_cell_angle_alpha 90
_cell_angle_beta 98.33
_cell_angle_gamma 90
_cell_volume 489.731
_exptl_crystal_density_diffrn      2.543
_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   0.88831   0.20828   0.07616   0.00861
B1   0.66810   0.03900   0.31100   0.00709
B2   0.11320   0.14800   0.77940   0.00785
B3   0.21690   0.19180   0.48530   0.00798
O-h1   0.61830   0.22300   0.92460   0.00912
O2   0.25460   0.04470   0.83170   0.00811
O3   0.74060   0.20730   0.33940   0.00975
O-h4   0.49440   0.05550   0.24520   0.00887
O-h5   0.96400   0.04630   0.79630   0.01127
O6   0.10500   0.22440   0.59800   0.01102
O7   0.30730   0.05050   0.50920   0.00899
H1   0.43500   0.05900   0.33400   0.03420
H2   0.89700   0.04000   0.69900   0.04686
H3   0.58600   0.12600   0.87000   0.08866