data_global
_chemical_name_mineral 'Kozyrevskite'
loop_
_publ_author_name
'Adams R D'
'Layland R'
'Payen C'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 34 
_journal_year 1995
_journal_page_first 5397
_journal_page_last 5398
_publ_section_title
;
 Cu4(AsO4)2(O): A new copper arsenate with unusual low temperature magnetic properties
;
_database_code_amcsd 0019953
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu4 As2 O9'
_cell_length_a 8.253
_cell_length_b 6.4122
_cell_length_c 13.789
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 729.712
_exptl_crystal_density_diffrn      4.988
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-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
Cu1   0.58090   0.25000   0.41110 ?
Cu2   0.64279   0.00670   0.84490 ?
Cu3   0.36200   0.25000   0.94770 ?
As1   0.16060   0.25000   0.41407 ?
As2   0.49880   0.25000   0.65602 ?
O1   0.60890   0.25000   0.75970 ?
O2   0.59620   0.25000   0.96800 ?
O3   0.63010   0.25000   0.56370 ?
O4   0.40890  -0.02740   0.86040 ?
O5   0.38060   0.03610   0.65010 ?
O6   0.31190   0.25000   0.09000   0.00630
O7   0.35780   0.25000   0.40800 ?
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
Cu1 0.00660 0.01270 0.01790 0.00000 0.00010 0.00000
Cu2 0.00770 0.00790 0.01080 0.00010 -0.00030 0.00220
Cu3 0.00730 0.02020 0.00910 0.00000 0.00060 0.00000
As1 0.00610 0.00800 0.00990 0.00000 0.00000 0.00000
As2 0.00640 0.00900 0.00650 0.00000 0.00000 0.00000
O1 0.01000 0.01100 0.01100 0.00000 -0.00600 0.00000
O2 0.01100 0.01600 0.00800 0.00000 0.00100 0.00000
O3 0.00900 0.01800 0.00300 0.00000 -0.00200 0.00000
O4 0.01100 0.00900 0.00600 0.00000 0.00000 0.00000
O5 0.01000 0.00900 0.01100 -0.00200 0.00200 -0.00400
O7 0.01200 0.02400 0.03900 0.00000 0.00100 0.00000