data_global
_chemical_name_mineral 'Lawsonite'
loop_
_publ_author_name
'Pawley A R'
'Allan D R'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 65 
_journal_year 2001
_journal_page_first 41
_journal_page_last 58
_publ_section_title
;
 A high-pressure study of lawsonite using angle-dispersive
 powder-diffraction methods with synchrotron radiation
 Note: Run #BN97, P = 16.5 GPa
;
_database_code_amcsd 0018956
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Al2 Si2 O10 H4'
_cell_length_a 5.178
_cell_length_b 12.787
_cell_length_c 5.634
_cell_angle_alpha 90
_cell_angle_beta 124.67
_cell_angle_gamma 90
_cell_volume 306.798
_exptl_crystal_density_diffrn      3.402
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.27700   0.75000   0.64900
Al1   0.50000   0.00000   0.00000
Al2   0.50000   0.00000   0.50000
Si   0.93700   0.13200   0.94400
O1   0.84200   0.75000   0.90500
O2   0.76700   0.11500   0.68500
O3   0.89400   0.39200   0.25500
O4   0.27900   0.07500   0.16900
O-H5   0.25800   0.05600   0.62500
Wat6   0.70200   0.75000   0.25800