data_global
_chemical_name_mineral 'Ezcurrite'
loop_
_publ_author_name
'Cannillo E'
'Dal Negro A'
'Ungaretti L'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 110
_journal_page_last 115
_publ_section_title
;
 The crystal structure of ezcurrite
;
_database_code_amcsd 304
_chemical_formula_sum 'Na2 B5 H5 O12'
_cell_length_a 8.598
_cell_length_b 9.57
_cell_length_c 6.576
_cell_angle_alpha 102.75
_cell_angle_beta 107.5
_cell_angle_gamma 71.52
_cell_volume 484.714
_exptl_crystal_density_diffrn  2.035
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Na1   0.8988  0.37  0.0373  0.02292
Na2   0.586  0.1519  0.5616  0.03648
B1   0.333333  0.1608  0.1463  0.0133
B2   0.2566  0.285  -0.1777  0.01418
B3   0.458  0.3607  0.156  0.01621
B4   -0.0485  0.371  -0.3761  0.01444
B5   0.159  0.2623  -0.5812  0.01203
H1   0.518  -0.045  0.167  0.038
H2   0.593  0.507  0.186  0.038
H3   -0.292  0.428  -0.481  0.038
H4   0.781  -0.021  0.288  0.06333
H5   0.749  0.087  0.919  0.06333
O1   0.1756  0.2244  0.2169  0.01482
O2   0.411  0.0118  0.213  0.0171
O3   0.2982  0.151  -0.0867  0.01292
O4   0.4508  0.2564  0.2527  0.01697
O5   0.5666  0.4476  0.2676  0.02457
O6   0.3627  0.3865  -0.0474  0.01697
O7   0.0778  0.3727  -0.1868  0.01532
O8   0.2846  0.2489  -0.3991  0.01494
O9   -0.2072  0.4156  -0.3508  0.02533
O10   -0.0113  0.3259  -0.5695  0.01862
O11   0.8265  0.0547  0.4041  0.05155
O12   0.8261  0.144  0.9732  0.0922