data_global
_chemical_name_mineral 'Azurite'
loop_
_publ_author_name
'Belokoneva E L'
'Gubina Y K'
'Forsyth J B'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 28 
_journal_year 2001
_journal_page_first 498
_journal_page_last 507
_publ_section_title
;
 The charge density distribution and antiferromagnetic properties of
 azurite Cu3[CO3]2(OH)2
 Note: O1 x-coordinate altered
;
_chemical_formula_sum 'Cu3 C2 O8 H2'
_cell_length_a 5.011
_cell_length_b 5.850
_cell_length_c 10.353
_cell_angle_alpha 90
_cell_angle_beta 92.41
_cell_angle_gamma 90
_cell_volume 303.223
_exptl_crystal_density_diffrn      3.775
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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   0.00000   0.00000   0.00000 ?
Cu2  -0.25030   0.99850   0.41660 ?
C   0.32900   0.30000   0.31800 ?
O1   0.07280   0.81100   0.44500 ?
O2   0.10400   0.39900   0.33100 ?
O3   0.45000   0.20800   0.41700 ?
O4   0.43100   0.29600   0.20700 ?
H   0.18000   0.80100   0.36900   0.03200

