data_global
_chemical_name_mineral 'Morelandite'
loop_
_publ_author_name
'Bell A M T'
'Henderson C M B'
'Wendlandt R F'
'Harrison W J'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 64 
_journal_year 2008
_journal_page_first i63
_journal_page_last i64
_publ_section_title
;
 Rietveld refinement of Ba5(AsO4)3Cl from high-resolution synchrotron data
;
_database_code_amcsd 0010488
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba5 As3 O12 Cl'
_cell_length_a 10.5570
_cell_length_b 10.5570
_cell_length_c 7.73912
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 746.970
_exptl_crystal_density_diffrn      5.063
_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_U_iso_or_equiv
Ba1   0.33333   0.66667   0.00610   0.05900
Ba2   0.24450   0.98740   0.25000   0.06500
As   0.40470   0.37160   0.25000   0.05900
O1   0.34700   0.49500   0.25000   0.13000
O2   0.59100   0.47300   0.25000   0.08000
O3   0.35400   0.28000   0.06800   0.06500
Cl   0.00000   0.00000   0.00000   0.07000