data_global
_chemical_name_mineral 'Guanacoite'
loop_
_publ_author_name
'Kyono A'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 501
_journal_page_last 507
_publ_section_title
;
 Compositional variability and crystal structural features of guanacoite
;
_database_code_amcsd 0004532
_chemical_compound_source 'El Guanaco mine, Chile'
_chemical_formula_sum 'Cu1.87 Mg3.13 As2 O16 H12'
_cell_length_a 5.459
_cell_length_b 16.808
_cell_length_c 6.917
_cell_angle_alpha 90
_cell_angle_beta 100.44
_cell_angle_gamma 90
_cell_volume 624.162
_exptl_crystal_density_diffrn      3.261
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
CuM1   0.00000   0.00000   0.00000   0.16800   0.00785
MgM1   0.00000   0.00000   0.00000   0.83200   0.00785
CuM2   0.48881   0.06213   0.81095   0.85100   0.00250
MgM2   0.48881   0.06213   0.81095   0.14900   0.00250
MgM3  -0.03802   0.12874   0.65934   1.00000   0.00481
As   0.37842   0.11681   0.33403   1.00000   0.00529
O1   0.33930   0.04210   0.16560   1.00000   0.00849
O2   0.61320   0.09550   0.51840   1.00000   0.00849
O3   0.10970   0.13430   0.41220   1.00000   0.00925
O4   0.43460   0.19850   0.20440   1.00000   0.00849
O5   0.15220   0.02200   0.74710   1.00000   0.00709
O6   0.82010   0.10400   0.91530   1.00000   0.00760
O7   0.31340   0.16710   0.83320   1.00000   0.00760
O8   0.12530  -0.24940   0.33380   1.00000   0.00950
H1  -0.00200   0.00600   0.70700   1.00000   0.01900
H2   0.88400   0.14600   0.00300   1.00000   0.01900
H3   0.33800   0.17700   0.97200   1.00000   0.01900
H4   0.35900   0.21400   0.76800   1.00000   0.01900
H5   0.99300   0.29100   0.19800   1.00000   0.01900
H6   0.71300   0.27020   0.17000   1.00000   0.01900
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
CuM1 0.00710 0.00690 0.00960 0.00020 0.00150 0.00140
MgM1 0.00710 0.00690 0.00960 0.00020 0.00150 0.00140
CuM2 0.00130 0.00090 0.00500 0.00040 0.00000 0.00000
MgM2 0.00130 0.00090 0.00500 0.00040 0.00000 0.00000
MgM3 0.00400 0.00390 0.00640 0.00000 0.00100 0.00040
As 0.00550 0.00420 0.00610 0.00020 0.00090 -0.00020
O1 0.01100 0.00500 0.00900 0.00100 0.00000 -0.00210
O2 0.00700 0.00900 0.00800 0.00100 0.00100 0.00100
O3 0.00800 0.01100 0.01000 0.00000 0.00400 0.00200
O4 0.00900 0.00700 0.01000 -0.00100 0.00200 0.00100
O5 0.00600 0.00500 0.01100 -0.00170 0.00200 -0.00110
O6 0.00700 0.00800 0.00800 0.00030 0.00040 -0.00080
O7 0.00800 0.00500 0.00900 0.00100 -0.00100 0.00220
O8 0.00900 0.00900 0.01100 0.00100 0.00200 0.00100