data_global
_amcsd_formula_title 'Ba3(Fe0.5In0.5)2(HPO4)6'
loop_
_publ_author_name
'Tang X'
'Gentiletti M J'
'Lachgar A'
'Morozov V A'
'Lazoryak B I'
_journal_name_full 'Solid State Sciences'
_journal_volume 3 
_journal_year 2001
_journal_page_first 143
_journal_page_last 153
_publ_section_title
;
 The pillared layered framework of Ba3(In1-xMx)2(HXO4)6(0<=x<=1; M=Fe,Cr; X=P, As):
 synthesis, crystal structure, thermal stability and Mossbauer spectroscopy
;
_database_code_amcsd 0015517
_chemical_formula_sum 'Ba3 In.475 Fe.526 P6 O24 H6'
_cell_length_a 9.502
_cell_length_b 9.502
_cell_length_c 37.116
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2902.163
_exptl_crystal_density_diffrn      3.679
_symmetry_space_group_name_H-M 'R -3 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  'y,x,1/2-z'
  '2/3+y,1/3+x,5/6-z'
  '1/3+y,2/3+x,1/6-z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '-x,-x+y,1/2-z'
  '2/3-x,1/3-x+y,5/6-z'
  '1/3-x,2/3-x+y,1/6-z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  'x-y,-y,1/2-z'
  '2/3+x-y,1/3-y,5/6-z'
  '1/3+x-y,2/3-y,1/6-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Ba   0.25820   0.92486   0.08333   1.00000   0.01460
In1   0.66667   0.33333   0.08333   0.15270   0.00750
Fe1   0.66667   0.33333   0.08333   0.34740   0.00750
In2   0.00000   0.00000   0.00000   0.32190   0.00670
Fe2   0.00000   0.00000   0.00000   0.17820   0.00670
P   0.36550   0.28670   0.03253   1.00000   0.01290
O1   0.46470   0.22420   0.05216   1.00000   0.01230
O2   0.39030   0.44660   0.04800   1.00000   0.01590
O3   0.18610   0.15310   0.03539   1.00000   0.01230
O-h4   0.41200   0.30980  -0.00823   1.00000   0.01810
H   0.50000   0.36000  -0.01500   1.00000   0.09000