data_global
_chemical_name_mineral 'Lawsonite'
loop_
_publ_author_name
'Meyer H W'
'Marion S'
'Sondergeld P'
'Carpenter M A'
'Knight K S'
'Redfern S A T'
'Dove M T'
_journal_name_full 'American Mineralogist'
_journal_volume 86 
_journal_year 2001
_journal_page_first 566
_journal_page_last 577
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 175 K
;
_database_code_amcsd 0002636
_chemical_formula_sum 'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cell_length_a 5.86092
_cell_length_b 8.77586
_cell_length_c 13.1132
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 674.472
_exptl_crystal_density_diffrn      3.151
_symmetry_space_group_name_H-M 'P m c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-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
Ca  -0.25000   0.08100   0.24930   1.00000   0.00650
Al   0.00000   0.00000   0.00000   0.97000   0.00160
Fe   0.00000   0.00000   0.00000   0.03000   0.00160
Ala   0.00000   0.00000   0.50000   0.97000   0.00160
Fea   0.00000   0.00000   0.50000   0.03000   0.00160
Si  -0.25000   0.72910   0.13240   1.00000   0.00380
Sia  -0.25000   0.72920   0.36640   1.00000   0.00380
O1  -0.25000  -0.20200   0.24880   1.00000   0.00570
O2   0.02350   0.12310   0.12020   1.00000   0.00450
O2a   0.02300   0.13050   0.38470   1.00000   0.00450
O3  -0.25000  -0.11370   0.06360   1.00000   0.00270
O3a  -0.25000  -0.11370   0.43320   1.00000   0.00270
O4  -0.25000   0.39340   0.05120   1.00000   0.00440
O4a  -0.25000   0.38220   0.46010   1.00000   0.00440
O5  -0.25000   0.35800   0.24840   1.00000   0.01420
Dw  -0.25000   0.38750   0.17340   1.00000   0.03200
Dwa  -0.25000   0.43710   0.29020   1.00000   0.05800
Dd  -0.25000   0.27960   0.03290   1.00000   0.02380
Dda  -0.25000   0.31580   0.40630   1.00000   0.03800