data_global
_chemical_name_mineral 'Lawsonite'
loop_
_publ_author_name
'Liebscher A'
'Dorsam G'
'Franz G'
'Wunder B'
'Gottschalk M'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 724
_journal_page_last 735
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU79
;
_database_code_amcsd 0018949
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Ca.979 Sr.021) Al2 Si2 O10 H4'
_cell_length_a 5.8419
_cell_length_b 8.7940
_cell_length_c 13.1393
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 675.014
_exptl_crystal_density_diffrn      3.102
_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
_atom_site_occupancy
Ca   0.00000   0.33230   0.25000   0.97900
Sr   0.00000   0.33230   0.25000   0.02100
Al   0.25000   0.25000   0.00000   1.00000
Si   0.00000   0.97990   0.13220   1.00000
O1   0.00000   0.04600   0.25000   1.00000
O2   0.27070   0.37930   0.11620   1.00000
O3   0.00000   0.14010   0.06760   1.00000
O-H4   0.00000   0.63590   0.05070   1.00000
Wat5   0.00000   0.60400   0.25000   1.00000