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-43
;
_database_code_amcsd 0001321
_chemical_formula_sum 'P Al O4.911 F.089 Li H.911'
_cell_length_a 6.713
_cell_length_b 7.711
_cell_length_c 7.0102
_cell_angle_alpha 91.22
_cell_angle_beta 117.91
_cell_angle_gamma 91.67
_cell_volume 320.280
_exptl_crystal_density_diffrn      3.029
_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  -0.01576   0.34196   0.26542   1.00000   0.00520
Al1   0.00000   0.00000   0.00000   1.00000   0.00580
Al2   0.00000   0.00000   0.50000   1.00000   0.00560
O1  -0.31720   0.01560  -0.15790   1.00000   0.00800
O2   0.29830   0.05840   0.57580   1.00000   0.00790
O3   0.10100  -0.22360  -0.38950   1.00000   0.00750
O4   0.02660   0.23570   0.10260   1.00000   0.00860
O-h   0.04420   0.08820  -0.22780   0.91100   0.00790
F   0.04420   0.08820  -0.22780   0.08900   0.00790
Li1   0.06000  -0.31800   0.28500   0.50000   0.01180
Li2   0.08000  -0.32200   0.33100   0.50000   0.01180
H   0.17800   0.13200   0.85000   0.91100   0.01000