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 #BN89, P = 9.8 GPa
;
_database_code_amcsd 0018954
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Al2 Si2 O10 H4'
_cell_length_a 5.714
_cell_length_b 8.592
_cell_length_c 12.871
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 631.898
_exptl_crystal_density_diffrn      3.303
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+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
Ca   0.00000   0.33300   0.25000
Al   0.25000   0.25000   0.00000
Si   0.00000   0.98460   0.12730
O1   0.00000   0.06900   0.25000
O2   0.27500   0.38100   0.12190
O3   0.00000   0.16900   0.05100
O-H4   0.00000   0.62500   0.05300
Wat5   0.00000   0.59200   0.25000