data_global
_chemical_name_mineral 'Ludjibaite'
loop_
_publ_author_name
'Shoemaker G L'
'Anderson J B'
'Kostiner E'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 169
_journal_page_last 175
_publ_section_title
;
 The crystal structure of a third polymorph of Cu5(PO4)2(OH)4
 Note: related to pseudomalachite and ludjibaite
;
_database_code_amcsd 0000808
_chemical_formula_sum 'Cu5 P2 O12 H4'
_cell_length_a 4.445
_cell_length_b 5.873
_cell_length_c 8.668
_cell_angle_alpha 103.62
_cell_angle_beta 90.35
_cell_angle_gamma 93.02
_cell_volume 219.574
_exptl_crystal_density_diffrn      4.354
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.00000   0.50000   0.50000
Cu2   0.00000   0.00000   0.00000
Cu3   0.00000   0.50000   0.00000
Cu4   0.03434  -0.03012   0.32894
P   0.50870   0.32650   0.22657
O1   0.69800   0.30870   0.07670
O2   0.70540   0.29460   0.36570
O3   0.28440   0.10290   0.18730
O4   0.66320   0.45240   0.73300
O-H5   0.16950   0.19550   0.52720
O-H6   0.15510   0.20780   0.87210
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 0.01026 0.00646 0.01254 -0.00063 -0.00545 0.00038
Cu2 0.00937 0.00671 0.00633 -0.00241 -0.00127 0.00253
Cu3 0.01115 0.00545 0.01419 -0.00076 0.00697 0.00177
Cu4 0.01165 0.01013 0.00544 -0.00469 0.00038 0.00190
P 0.00545 0.00671 0.00671 -0.00089 0.00051 0.00127
O1 0.01279 0.01077 0.00899 -0.00317 0.00431 0.00291
O2 0.01013 0.01115 0.01051 -0.00317 -0.00494 0.00317
O3 0.00988 0.01216 0.00760 -0.00595 0.00013 0.00190
O4 0.01267 0.01064 0.02090 0.00481 0.00165 0.00127
O-H5 0.00773 0.00887 0.00760 -0.00127 -0.00101 0.00291
O-H6 0.00697 0.00760 0.00697 -0.00076 0.00127 0.00190