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 M6116
;
_database_code_amcsd 0001325
_chemical_formula_sum 'P Al O4 F Li'
_cell_length_a 6.644
_cell_length_b 7.744
_cell_length_c 6.910
_cell_angle_alpha 90.35
_cell_angle_beta 117.33
_cell_angle_gamma 91.01
_cell_volume 315.753
_exptl_crystal_density_diffrn      3.111
_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  -0.01308   0.33190   0.25580   1.00000   0.00540
Al1   0.00000   0.00000   0.00000   1.00000   0.00560
Al2   0.00000   0.00000   0.50000   1.00000   0.00550
O1  -0.31480   0.01920  -0.14260   1.00000   0.00840
O2   0.29870   0.06090   0.58840   1.00000   0.00870
O3   0.09950  -0.22090  -0.38300   1.00000   0.00760
O4   0.02900   0.23200   0.09250   1.00000   0.00970
F   0.01910   0.08240  -0.24130   1.00000   0.00980
Li1   0.05000  -0.32000   0.24030   0.50000   0.02010
Li2   0.06540  -0.32390   0.30700   0.50000   0.02010