data_9000264
_chemical_name 'Gowerite'
loop_
_publ_author_name
'Konnert J A'
'Clark J R'
'Christ C L'
_journal_name_full "American Mineralogist"
_journal_volume 57
_journal_year 1972
_journal_page_first 381
_journal_page_last 396
_publ_section_title
;
 Gowerite, CaB5O8(OH).B(OH)3.3H2O: Crystal structure and comparison with
 related borates
;
_chemical_formula_sum 'Ca B6 O15 H10'
_cell_length_a 12.882
_cell_length_b 16.360
_cell_length_c 6.558
_cell_angle_alpha 90
_cell_angle_beta 121.62
_cell_angle_gamma 90
_cell_volume 1176.915
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Ca   0.19080   0.25210   0.08790   0.01849
B1   0.63100   0.23900   0.57700   0.02280
B2   0.44000   0.30900   0.49200   0.02533
B3   0.47700   0.27400   0.17200   0.02406
B4   0.34500   0.31300   0.73100   0.02533
B5   0.41800   0.43900   0.64700   0.02533
B6   0.23200   0.07100   0.06100   0.04053
O1   0.23800   0.29300   0.74100   0.03040
O2   0.55400   0.26200   0.65000   0.02786
O3   0.59500   0.25100   0.34100   0.03166
O4   0.40000   0.29500   0.24000   0.03166
O5   0.46800   0.39700   0.54800   0.03166
O6   0.34200   0.28200   0.52300   0.02660
O7   0.45500   0.27900  -0.05100   0.03166
O8   0.35600   0.40300   0.74200   0.03293
O-H9   0.42900   0.52400   0.66500   0.04559
O-H10   0.18300   0.10900   0.17100   0.04433
O-H11   0.28800   0.12700  -0.01500   0.05066
O-H12   0.22900  -0.01000   0.02100   0.05319
Wat1   0.13100   0.39000   0.06200   0.05066
Wat2   0.08700   0.45300   0.41800   0.11145
Wat3   0.38400   0.10900   0.71100   0.06713