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-47
;
_database_code_amcsd 0001320
_chemical_formula_sum 'P Al O5 Li H'
_cell_length_a 6.713
_cell_length_b 7.708
_cell_length_c 7.0194
_cell_angle_alpha 91.31
_cell_angle_beta 117.93
_cell_angle_gamma 91.77
_cell_volume 320.464
_exptl_crystal_density_diffrn      3.024
_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_U_iso_or_equiv
P  -0.01605   0.34212   0.26653   0.00410
Al1   0.00000   0.00000   0.00000   0.00480
Al2   0.00000   0.00000   0.50000   0.00460
O1  -0.31720   0.01540  -0.15920   0.00660
O2   0.29810   0.05810   0.57430   0.00650
O3   0.10130  -0.22340  -0.38970   0.00630
O4   0.02650   0.23620   0.10350   0.00760
O-h   0.04710   0.08900  -0.22650   0.00590
Li   0.06960  -0.32020   0.31010   0.01720
H   0.18300   0.12900   0.84800   0.01000