data_global
_chemical_name_mineral 'Chantalite'
loop_
_publ_author_name
'Liebich B W'
'Sarp H'
'Parthe E'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 150 
_journal_year 1979
_journal_page_first 53
_journal_page_last 63
_publ_section_title
;
 The crystal structure of chantalite, CaAl2(OH)4SiO4
 southwest Turkey
;
_database_code_amcsd 0010811
_chemical_compound_source 'rodingitic dykes in a ophiolitic zone in the Taurus Mountains,'
_chemical_formula_sum 'Ca Al2 Si O8 H4'
_cell_length_a 4.952
_cell_length_b 4.952
_cell_length_c 23.275
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 570.757
_exptl_crystal_density_diffrn      2.958
_symmetry_space_group_name_H-M 'I 41/a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '3/4+y,1/4-x,1/4-z'
  '1/4+y,3/4-x,3/4-z'
  '3/4-y,1/4+x,1/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '3/4-y,3/4+x,3/4-z'
  '1/4-y,1/4+x,1/4-z'
  '3/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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   0.25000   0.62500 ?
Al   0.00000   0.25000   0.46530 ?
Si   0.00000   0.25000   0.12500 ?
O1   0.13100   0.49670   0.16310 ?
O2   0.18910   0.92190   0.47030 ?
H   0.39000   0.97000   0.46000   0.01500
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 0.01000 0.01000 0.00800 0.00000 0.00000 0.00000
Al 0.01000 0.00600 0.00800 0.00100 0.00000 0.00000
Si 0.00600 0.00600 0.01000 0.00000 0.00000 0.00000
O1 0.00700 0.01000 0.01100 -0.00100 0.00000 0.00500
O2 0.01100 0.00700 0.00500 0.00100 0.00000 0.00100