data_global
_chemical_name_mineral 'Howlite'
loop_
_publ_author_name
'Finney J J'
'Kumbasar I'
'Konnert J A'
'Clark J R'
_journal_name_full 'American Mineralogist'
_journal_volume 55
_journal_year 1970
_journal_page_first 716
_journal_page_last 728
_publ_section_title
;
 Crystal structure of the calcium silicoborate, howlite
;
_database_code_amcsd 202
_chemical_formula_sum 'Ca2 Si B5 O14 H5'
_cell_length_a 12.78
_cell_length_b 9.33
_cell_length_c 8.6
_cell_angle_alpha 90.0
_cell_angle_beta 104.83
_cell_angle_gamma 90.0
_cell_volume 991.284
_exptl_crystal_density_diffrn  2.622
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
Ca1   0.1171  0.1838  0.1493  0.01013
Ca2   0.4118  0.8216  0.5228  0.00887
Si   0.1411  0.5549  0.0115  0.00887
B1   0.039  0.471  0.257  0.0152
B2   0.323  0.384  0.033  0.01267
B3   0.492  0.423  0.256  0.01773
B4   0.343  0.261  0.284  0.01393
B5   0.157  0.65  0.476  0.01646
O1   0.081  0.512  -0.174  0.0114
O2   0.127  0.723  0.047  0.01773
O3   0.102  0.45  0.137  0.01013
O4   0.269  0.525  0.03  0.0114
O5   0.061  0.597  0.355  0.00633
O6   0.438  0.407  0.078  0.01393
O7   0.292  0.171  0.364  0.01013
O8   0.287  0.282  0.13  0.01267
O9   0.438  0.333  0.352  0.01013
O-H10   0.497  0.57  0.294  0.01393
O-H11   0.601  0.356  0.272  0.0114
O-H12   0.246  0.685  0.398  0.01267
O-H13   0.197  0.542  0.599  0.01013
O-H14   0.055  0.338  0.351  0.00633