data_global
_amcsd_formula_title 'Li3B7O12'
loop_
_publ_author_name
'Aidong J'
'Shirong L'
'Qingzhen H'
'Tianbin C'
'Deming K'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 1999
_journal_page_last 2001
_publ_section_title
;
 Structure of lithium heptaborate, Li3B7O12
;
_database_code_amcsd 0010193
_chemical_formula_sum 'O12 B7 Li3'
_cell_length_a 6.487
_cell_length_b 7.840
_cell_length_c 8.510
_cell_angle_alpha 92.11
_cell_angle_beta 104.85
_cell_angle_gamma 99.47
_cell_volume 411.227
_exptl_crystal_density_diffrn      2.330
_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
O1   0.41040   0.38980   0.31370   0.01001
O2   0.32800   0.65760   0.21180   0.00595
O3   0.56070   0.80110   0.06950   0.00545
O4   0.68450   0.58500   0.24210   0.00545
O5   0.26180   0.05650   0.10790   0.00443
O6   0.06010   0.23900   0.47410   0.00633
O7   0.22520   0.02810   0.36870   0.00494
O8   0.72940   0.29600   0.31000   0.00557
O9  -0.05010  -0.13650   0.14490   0.00494
O10  -0.03590   0.17050   0.18250   0.00557
O11   0.06610   0.46750   0.29200   0.00735
O12   0.63940   0.86270   0.35760   0.00583
B1   0.26760   0.50330   0.27180   0.00507
B2   0.09380   0.03600   0.20210   0.00367
B3   0.61560   0.42690   0.28720   0.00443
B4  -0.04240   0.29060   0.31360   0.00355
B5   0.55860   0.72450   0.22300   0.00405
B6   0.21490   0.13780   0.49420   0.00418
B7   0.24910   0.13190  -0.03650   0.00367
Lil  -0.01190   0.69480   0.31460   0.00925
Li2   0.51780   0.07560   0.30620   0.01254
Li3   0.21450   0.79770   0.02920   0.01659