data_global
_amcsd_formula_title 'Cd5(AsO4)3Cl.58(OH).42'
loop_
_publ_author_name
'Dordevic T'
'Sutovic S'
'Stojanovic J'
'Karanovic L'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 64 
_journal_year 2008
_journal_page_first i82
_journal_page_last i86
_publ_section_title
;
 Sr, Ba and Cd arsenates with the apatite-type structure
;
_database_code_amcsd 0010346
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cd5 As3 Cl.58 O12.42 H.42'
_cell_length_a 9.971
_cell_length_b 9.971
_cell_length_c 6.514
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 560.862
_exptl_crystal_density_diffrn      5.960
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+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
Cd1   0.33333   0.66667   0.00216   1.00000   0.01110
Cd2   0.26495   0.02676   0.25000   1.00000   0.01741
As   0.40361   0.37911   0.25000   1.00000   0.00749
Cl   0.00000   0.00000   0.25000   0.58000   0.02470
O4   0.00000   0.00000   0.25000   0.42000   0.02470
H   0.00000   0.00000   0.11300   0.21000   0.03000
O1   0.35110   0.51250   0.25000   1.00000   0.01250
O2   0.60040   0.46230   0.25000   1.00000   0.01260
O3   0.34120   0.25790   0.04710   1.00000   0.01510
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
Cd1 0.01350 0.01350 0.00630 0.00675 0.00000 0.00000
Cd2 0.02850 0.01090 0.00870 0.00670 0.00000 0.00000
As 0.00830 0.00780 0.00760 0.00500 0.00000 0.00000
Cl 0.01060 0.01060 0.05300 0.00530 0.00000 0.00000
O4 0.01060 0.01060 0.05300 0.00530 0.00000 0.00000
O1 0.02300 0.01200 0.01000 0.01300 0.00000 0.00000
O2 0.00800 0.01000 0.01500 0.00140 0.00000 0.00000
O3 0.02490 0.01060 0.01110 0.00980 -0.00700 -0.00420