data_global
_amcsd_formula_title 'Cu0.5 O12 P3 Ti2'
loop_
_publ_author_name
'Olazcuaga R'
'Le Flem G'
'Boireau A'
'Soubeyroux J'
_journal_name_full 'Advanced Materials Research'
_journal_volume 1 
_journal_year 1994
_journal_page_first 177
_journal_page_last 188
_publ_section_title
;
 The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3
 and D0.5 Cu(I)0.5 Zr2 (P O4)3
 _cod_database_code 1008727
;
_database_code_amcsd 0016608
_chemical_formula_sum 'Cu.501 Ti2 P3 O12'
_cell_length_a 8.46
_cell_length_b 8.46
_cell_length_c 21.879990000
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1356.183
_exptl_crystal_density_diffrn      3.031
_symmetry_space_group_name_H-M 'R -3'
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'
  '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
Cu1   0.43100   0.10300   0.36850   0.16700
Ti1   0.00000   0.00000   0.14520   1.00000
Ti2   0.00000   0.00000   0.64210   1.00000
P1   0.28630   0.00230   0.25080   1.00000
O1   0.17830  -0.01470   0.19340   1.00000
O2   0.79310   0.94500   0.69460   1.00000
O3   0.27840   0.82260   0.26210   1.00000
O4   0.51930   0.84560   0.75560   1.00000