data_global
_chemical_name_mineral 'Gaylussite'
loop_
_publ_author_name
'Dickens B'
'Brown W E'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 8 
_journal_year 1969
_journal_page_first 2093
_journal_page_last 2103
_publ_section_title
;
 The crystal structures of CaNa2(CO3)2*5(H2O), synthetic gaylussite,
 and CaNa2(CO3)2*2(H2O), synthetic pirssonite
;
_database_code_amcsd 0012679
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Na2 C2 O11 H10'
_cell_length_a 14.361
_cell_length_b 7.781
_cell_length_c 11.209
_cell_angle_alpha 90
_cell_angle_beta 127.84
_cell_angle_gamma 90
_cell_volume 989.154
_exptl_crystal_density_diffrn      1.989
_symmetry_space_group_name_H-M 'C 1 2/c 1'
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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.00000   0.19290   0.25000 ?
Na   0.08810   0.18220  -0.01070 ?
C   0.18530  -0.02860   0.31610 ?
O1   0.28520  -0.09060   0.36330 ?
O2   0.10330   0.00310   0.17490 ?
O3   0.16580   0.00950   0.41130 ?
Ow4   0.00000   0.67910   0.25000 ?
Ow5   0.06960   0.29350   0.50290 ?
Ow6   0.14670   0.40480   0.31090 ?
H1   0.06000   0.60000   0.28000   0.01267
H2   0.09000   0.20000   0.57000   0.01267
H3   0.12000   0.38000   0.56000   0.01267
H4   0.21000   0.44000   0.41000   0.01267
H5   0.17000   0.41000   0.25000   0.01267
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.00747 0.01608 0.01089 0.00000 0.00519 0.00000
Na 0.01976 0.02432 0.02115 0.00076 0.01418 -0.00203
C 0.01191 0.01494 0.01495 0.00013 0.00823 0.00139
O1 0.01596 0.03648 0.02343 0.01216 0.01431 0.00849
O2 0.01355 0.02647 0.01140 0.00013 0.00557 -0.00013
O3 0.01191 0.02495 0.01254 0.00127 0.00848 0.00000
Ow4 0.02330 0.02407 0.02812 0.00000 0.01469 0.00000
Ow5 0.01824 0.02558 0.01900 0.00165 0.01051 -0.00076
Ow6 0.01419 0.03293 0.01609 -0.00595 0.00963 -0.00279