data_global
_chemical_name_mineral 'Ancylite-(Ce)'
loop_
_publ_author_name
'dal Negro A'
'Rossi G'
'Tazzoli V'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 280
_journal_page_last 284
_publ_section_title
;
 The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x(2-x)H2O
;
_database_code_amcsd 454
_chemical_compound_source 'Mont St. Hilaire, Quebec, Canada'
_chemical_formula_sum '(Ce.41 La.28 Sr.2 Ca.11) C O4 H1.31'
_cell_length_a 5.03
_cell_length_b 8.52
_cell_length_c 7.29
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 312.417
_exptl_crystal_density_diffrn  4.159
_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
Ce   0.25  0.3399  0.6476  0.41  0.01013
La   0.25  0.3399  0.6476  0.28  0.01013
Sr   0.25  0.3399  0.6476  0.2  0.01013
Ca   0.25  0.3399  0.6476  0.11  0.01013
C   0.75  0.1905  0.8099  1.0  0.01001
O1   0.75  0.3181  0.721  1.0  0.02292
O2   0.5297  0.1218  0.852  1.0  0.01963
O-H3   0.25  0.4135  0.9749  0.69  0.03078
Wat3   0.25  0.4135  0.9749  0.31  0.03078
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
Ce   0.01064  0.00919  0.0105  0.0  0.0  -0.00063
La   0.01064  0.00919  0.0105  0.0  0.0  -0.00063
Sr   0.01064  0.00919  0.0105  0.0  0.0  -0.00063
Ca   0.01064  0.00919  0.0105  0.0  0.0  -0.00063
C   0.01064  0.00405  0.01508  0.0  0.0  0.00346
O1   0.02051  0.01912  0.02908  0.0  0.0  0.01164
O2   0.01577  0.02023  0.02288  -0.00369  0.00149  0.00189
O-H3   0.04076  0.0342  0.01696  0.0  0.0  0.01196
Wat3   0.04076  0.0342  0.01696  0.0  0.0  0.01196