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 = 75 K
;
_database_code_amcsd 0002962
_chemical_formula_sum 'P Al O4.55 F.45 H.55 Li.99'
_cell_length_a 6.6871
_cell_length_b 7.7085
_cell_length_c 6.9660
_cell_angle_alpha 90.983
_cell_angle_beta 117.76
_cell_angle_gamma 91.387
_cell_volume 317.495
_exptl_crystal_density_diffrn      3.070
_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   0.98450   0.34120   0.26240   1.00000   0.00470
Al1   0.00000   0.00000   0.00000   1.00000   0.00450
Al2   0.00000   0.00000   0.50000   1.00000   0.00380
O1  -0.31710   0.01480  -0.15480   1.00000   0.00610
O2   0.29800   0.06000   0.57920   1.00000   0.00660
O3   0.10100  -0.22310  -0.38800   1.00000   0.00570
O4   0.02380   0.23380   0.09770   1.00000   0.00660
O   0.03700   0.08650  -0.23180   0.55000   0.00720
F   0.03700   0.08650  -0.23180   0.45000   0.00720
H   0.20300   0.13710   0.84530   0.55000   0.01900
Li1   0.04700  -0.32300   0.25900   0.38000   0.01300
Li2   0.06900  -0.32200   0.31600   0.61000   0.00700