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 A-2
;
_database_code_amcsd 0001322
_chemical_formula_sum 'P Al O4.706 F.294 Li H.706'
_cell_length_a 6.6984
_cell_length_b 7.710
_cell_length_c 6.983
_cell_angle_alpha 91.06
_cell_angle_beta 117.81
_cell_angle_gamma 91.49
_cell_volume 318.682
_exptl_crystal_density_diffrn      3.053
_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  -0.01530   8.34130   6.26350   1.00000   0.00540
Al1   0.00000   0.00000   0.00000   1.00000   0.00580
Al2   0.00000   0.00000   0.50000   1.00000   0.00550
O1  -0.31690   0.01590  -0.15510   1.00000   0.00840
O2   0.29800   0.05890   0.57830   1.00000   0.00870
O3   0.10040  -0.22270  -0.38790   1.00000   0.00790
O4   0.02580   0.23460   0.09980   1.00000   0.00940
O-h   0.03910   0.08710  -0.23060   0.70600   0.00880
F   0.03910   0.08710  -0.23060   0.29400   0.00880
Li1   0.05000  -0.33000   0.28000   0.50000   0.02220
Li2   0.08000  -0.31000   0.32000   0.50000   0.02220
H   0.19000   0.12900   0.83200   0.70600   0.01000