data_global
_chemical_name_mineral 'Pseudomalachite'
loop_
_publ_author_name
'Shoemaker G L'
'Anderson J B'
'Kostiner E'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 1042
_journal_page_last 1048
_publ_section_title
;
 Refinement of the crystal structure of pseudomalachite
;
_database_code_amcsd 0000600
_chemical_formula_sum 'Cu5 P2 O12 H4'
_cell_length_a 4.4728
_cell_length_b 5.7469
_cell_length_c 17.032
_cell_angle_alpha 90
_cell_angle_beta 91.043
_cell_angle_gamma 90
_cell_volume 437.730
_exptl_crystal_density_diffrn      4.368
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_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
Cu1   0.00000   0.00000   0.00000
Cu2   0.04610   0.47260   0.08560
Cu3  -0.01710   0.32870   0.25705
P   0.52550   0.09420   0.13480
O1   0.71090   0.15610   0.06220
O2   0.32420   0.30590   0.15110
O3   0.74050   0.07620   0.20770
O4   0.34870   0.87250   0.12470
O-H5   0.17220   0.32010  -0.01420
O-H6   0.15210   0.07190   0.31660
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 0.01583 0.01241 0.01672 0.00000 0.00545 0.00000
Cu2 0.01495 0.01596 0.00962 0.00418 -0.00038 0.00051
Cu3 0.01571 0.01102 0.01355 -0.00127 -0.00494 0.00101
P 0.00950 0.01241 0.00937 -0.00013 -0.00038 0.00000
O1 0.01469 0.01963 0.01291 0.00127 0.00329 0.00051
O2 0.01545 0.01596 0.01140 0.00722 -0.00101 -0.00114
O3 0.01507 0.01089 0.01253 0.00025 -0.00443 0.00101
O4 0.01773 0.01900 0.02255 -0.00380 -0.00304 -0.00013
O-H5 0.01216 0.01431 0.01165 0.00177 0.00000 0.00063
O-H6 0.01114 0.01039 0.01039 -0.00114 -0.00165 0.00139