data_global
_chemical_name_mineral 'Balipholite'
loop_
_publ_author_name
'Peng Z'
'Ma Z'
'Han S'
_journal_name_full 'Scientia Sinica'
_journal_volume B30 
_journal_year 1987
_journal_page_first 779
_journal_page_last 784
_publ_section_title
;
 The refinement of crystal structure of balipholite
;
_database_code_amcsd 0015443
_chemical_compound_source 'Hunan Province, China'
_chemical_formula_sum 'Ba Mg2 Li Al3 Si4 O16 H4 F4'
_cell_length_a 13.587
_cell_length_b 20.164
_cell_length_c 5.144
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1409.293
_exptl_crystal_density_diffrn      3.404
_symmetry_space_group_name_H-M 'C c c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,1/2+y,1/2+z'
  '1/2-x,+y,1/2+z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba   0.00000   0.75000   0.25000   1.00000 ?
Mg   0.00000   0.53860   0.25000   1.00000 ?
Li   0.00000   0.11540   0.25000   0.50000 ?
Al   0.00000   0.11540   0.25000   0.50000 ?
Al   0.19250   0.25000   0.25000   1.00000 ?
Si   0.19240   0.62040   0.08380   1.00000 ?
O2   0.20350   0.69980   0.07220   1.00000 ?
O3   0.25360   0.91110   0.17360   1.00000 ?
O4   0.07850   0.60270   0.09750   1.00000 ?
O5   0.06950   0.46800   0.06790   1.00000 ?
H   0.12200   0.46800   0.09400   1.00000  -0.00148
F   0.09720   0.30750   0.13290   1.00000 ?
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba 0.01309 0.02678 0.00952 0.00000 0.00000 0.00000
Mg 0.00281 0.00412 -0.00188 0.00000 0.00000 0.00000
Li 0.01496 0.01442 0.00965 0.00000 0.00425 0.00000
Al 0.01496 0.01442 0.00965 0.00000 0.00425 0.00000
Al 0.00842 0.00618 0.00147 0.00000 0.00000 0.00053
Si 0.00468 0.00412 0.00040 0.00000 0.00035 0.00000
O2 0.01029 0.00412 0.00509 0.00000 -0.00035 0.00053
O3 0.01029 0.00824 0.00094 0.00000 0.00283 -0.00053
O4 0.00561 0.01030 0.00241 0.00000 0.00106 0.00000
O5 0.00561 0.00824 0.00349 0.00139 -0.00142 -0.00053
F 0.01496 0.01442 0.00416 -0.00139 -0.00319 -0.00105