data_global
_chemical_name_mineral 'Montebrasite'
loop_
_publ_author_name
'Groat L A'
'Chakoumakos B C'
'Brouwer D H'
'Hoffman C M'
'Fyfe C A'
'Morell H'
'Schultz A J'
_journal_name_full 'American Mineralogist'
_journal_volume 88 
_journal_year 2003
_journal_page_first 195
_journal_page_last 210
_publ_section_title
;
 The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution:
 A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS,
 and REDOR NMR study
 Sample: from Tanco Pegmatite, Bernic Lake, Manitoba at T = 225 K
;
_database_code_amcsd 0002964
_chemical_formula_sum 'P Al O4.55 F.45 H.55 Li'
_cell_length_a 6.6914
_cell_length_b 7.7150
_cell_length_c 6.9697
_cell_angle_alpha 90.939
_cell_angle_beta 117.76
_cell_angle_gamma 91.377
_cell_volume 318.147
_exptl_crystal_density_diffrn      3.065
_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   0.98470   0.34110   0.26160   1.00000   0.00560
Al1   0.00000   0.00000   0.00000   1.00000   0.00590
Al2   0.00000   0.00000   0.50000   1.00000   0.00470
O1  -0.31680   0.01590  -0.15340   1.00000   0.00780
O2   0.29840   0.06000   0.58020   1.00000   0.00840
O3   0.10040  -0.22290  -0.38730   1.00000   0.00730
O4   0.02510   0.23380   0.09790   1.00000   0.00860
O   0.03610   0.08660  -0.23210   0.55000   0.00840
F   0.03610   0.08660  -0.23210   0.45000   0.00840
H   0.20150   0.13700   0.84440   0.55000   0.02000
Li1   0.05200  -0.32200   0.25200   0.38000   0.01500
Li2   0.06840  -0.32240   0.31600   0.62000   0.00900