data_global
_chemical_name_mineral 'Reichenbachite'
loop_
_publ_author_name
'Anderson J B'
'Shoemaker G L'
'Kostiner E'
'Ruszala F A'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 115
_journal_page_last 121
_publ_section_title
;
 The crystal structure of synthetic Cu5(PO4)2(OH)4, a polymorph of
 pseudomalachite
;
_database_code_amcsd 0000558
_chemical_formula_sum 'Cu5 P2 O12'
_cell_length_a 9.186
_cell_length_b 10.684
_cell_length_c 4.461
_cell_angle_alpha 90
_cell_angle_beta 92.31
_cell_angle_gamma 90
_cell_volume 437.461
_exptl_crystal_density_diffrn      4.340
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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   0.36470   0.07582   0.02040
Cu3   0.13548   0.26393   0.03540
P   0.38740   0.29890   0.47930
O1  -0.00230   0.12820   0.29970
O2   0.29320   0.21550   0.25600
O3   0.28960   0.38260   0.65700
O4   0.47250   0.20510   0.68340
O5   0.07240   0.42020   0.16250
O6   0.16870   0.08900  -0.16460
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 0.00697 0.00532 0.01735 0.00000 0.00507 0.00000
Cu2 0.00329 0.00468 0.01773 0.00114 -0.00025 -0.00253
Cu3 0.00481 0.00444 0.01532 0.00190 -0.00215 -0.00177
P 0.00304 0.00418 0.01127 -0.00088 0.00025 -0.00038
O1 0.00646 0.00912 0.01697 0.00114 0.00000 -0.00393
O2 0.00393 0.00557 0.01393 -0.00025 -0.00228 -0.00215
O3 0.01317 0.00823 0.02077 0.00266 0.00608 -0.00418
O4 0.00608 0.00747 0.01406 -0.00240 -0.00266 0.00228
O5 0.00532 0.00367 0.01621 -0.00101 0.00203 -0.00013
O6 0.00443 0.00076 0.01659 -0.00228 0.00190 -0.00279