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 = 225 K
;
_database_code_amcsd 0002637
_chemical_formula_sum 'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cell_length_a 5.85942
_cell_length_b 8.78269
_cell_length_c 13.1209
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 675.221
_exptl_crystal_density_diffrn      3.148
_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   0.08120   0.24920   1.00000   0.00830
Al   0.00000   0.00000   0.00000   0.97000   0.00260
Fe   0.00000   0.00000   0.00000   0.03000   0.00260
Ala   0.00000   0.00000   0.50000   0.97000   0.00260
Fea   0.00000   0.00000   0.50000   0.03000   0.00260
Si  -0.25000   0.72980   0.13230   1.00000   0.00390
Sia  -0.25000   0.72910   0.36600   1.00000   0.00390
O1  -0.25000  -0.20220   0.24920   1.00000   0.00610
O2   0.02240   0.12420   0.11950   1.00000   0.00490
O2a   0.02340   0.13040   0.38450   1.00000   0.00490
O3  -0.25000  -0.11380   0.06380   1.00000   0.00390
O3a  -0.25000  -0.11290   0.43300   1.00000   0.00390
O4  -0.25000   0.39430   0.05150   1.00000   0.00490
O4a  -0.25000   0.38350   0.45940   1.00000   0.00490
O5  -0.25000   0.35860   0.24880   1.00000   0.01830
Dw  -0.25000   0.39120   0.17460   1.00000   0.03800
Dwa  -0.25000   0.43370   0.29250   1.00000   0.06000
Dd  -0.25000   0.27940   0.03500   1.00000   0.02600
Dda  -0.25000   0.31320   0.40920   1.00000   0.04300