data_global
_chemical_name_mineral 'Inyoite'
loop_
_publ_author_name
'Clark J R'
_journal_name_full 'Acta Crystallographica'
_journal_volume 12 
_journal_year 1959
_journal_page_first 162
_journal_page_last 170
_publ_section_title
;
 Studies of borate minerals IV. The structure of inyoite, CaB3O3(OH)5*4H2O
;
_database_code_amcsd 0009226
_chemical_formula_sum 'Ca B3 (O12 H13)'
_cell_length_a 10.63
_cell_length_b 12.06
_cell_length_c 8.405
_cell_angle_alpha 90
_cell_angle_beta 114
_cell_angle_gamma 90
_cell_volume 984.348
_exptl_crystal_density_diffrn      1.873
_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
Ca   0.02200   0.12900   0.16000
B1   0.07300   0.10800   0.83500
B2   0.23200   0.46700   0.97600
B3   0.20600   0.57800   0.21100
O-H1   0.04300   0.20800   0.91200
O-H2   0.13700   0.48600   0.78700
O3   0.17400   0.13100   0.75200
Wat4   0.04000   0.33400   0.21600
O5   0.16400   0.49000   0.08100
O-H6   0.12300   0.60100   0.29000
O7   0.13900   0.03200   0.98200
Wat8   0.05700   0.85100   0.61500
Wat9   0.23600   0.65000   0.64400
O-H10   0.22000   0.84800   0.01000
O-H11   0.04800   0.94000   0.29600
Wat12   0.18800   0.33100   0.58600