data_global
_chemical_name_mineral 'Montebrasite'
loop_
_publ_author_name
'Groat L A'
'Raudsepp M'
'Hawthorne F C'
'Ercit T S'
'Sherriff B L'
'Hartman J S'
_journal_name_full 'American Mineralogist'
_journal_volume 75 
_journal_year 1990
_journal_page_first 992
_journal_page_last 1008
_publ_section_title
;
 The amblygonite-montebrasite series: Characterization by single-crystal
 structure refinement, infrared spectroscopy and multinuclear MAS-NMR
 spectroscopy
 sample AF-46
;
_database_code_amcsd 0001324
_chemical_formula_sum 'P Al O4.5 (F.5 Li) H.5'
_cell_length_a 6.6782
_cell_length_b 7.7159
_cell_length_c 6.949
_cell_angle_alpha 90.82
_cell_angle_beta 117.66
_cell_angle_gamma 91.22
_cell_volume 316.959
_exptl_crystal_density_diffrn      3.078
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+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
P  -0.01457   0.34047   0.26018   1.00000   0.00570
Al1   0.00000   0.00000   0.00000   1.00000   0.00600
Al2   0.00000   0.00000   0.50000   1.00000   0.00570
O1  -0.31600   0.01660  -0.15000   1.00000   0.00860
O2   0.29840   0.05970   0.58290   1.00000   0.00900
O3   0.09980  -0.22220  -0.38600   1.00000   0.00810
O4   0.02600   0.23320   0.09640   1.00000   0.01010
O-H   0.03040   0.08500  -0.23520   0.50000   0.00920
F   0.03040   0.08500  -0.23520   0.50000   0.00920
Li1   0.05000  -0.31500   0.26300   0.50000   0.02510
Li2   0.06100  -0.32900   0.31000   0.50000   0.02510