data_global
_chemical_name_mineral 'Guanacoite'
loop_
_publ_author_name
'Witzke T'
'Kolitsch U'
'Krause W'
'Wiechowski A'
'Medenbach O'
'Kampf A R'
'Steele I M'
'Favreau G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 18 
_journal_year 2006
_journal_page_first 813
_journal_page_last 821
_publ_section_title
;
 Guanacoite, Cu2Mg2(Mg0.5Cu0.5)(OH)4(H2O)4(AsO4)2, a new arsenate mineral
 species from the El Guanaco Mine, near Taltal, Chile: Description and crystal structure
;
_database_code_amcsd 0007188
_chemical_compound_source 'El Guanaco Mine, Taltal, Chile'
_chemical_formula_sum 'Cu2.582 Mg2.418 As2 O16 H12'
_cell_length_a 5.475
_cell_length_b 16.865
_cell_length_c 6.915
_cell_angle_alpha 90
_cell_angle_beta 99.80
_cell_angle_gamma 90
_cell_volume 629.185
_exptl_crystal_density_diffrn      3.382
_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
Cu1   0.00000   0.00000   0.00000   0.50400   0.00995
MgCu1   0.00000   0.00000   0.00000   0.49600   0.00995
Cu2   0.48613   0.06121   0.81351   1.00000   0.01084
Mg3  -0.03662   0.12866   0.66179   0.96100   0.01080
CuMg3  -0.03662   0.12866   0.66179   0.03900   0.01080
As   0.38336   0.11719   0.33611   1.00000   0.00885
O1   0.34980   0.04317   0.16710   1.00000   0.01380
O2   0.61490   0.09660   0.51990   1.00000   0.01500
O3   0.11440   0.13312   0.41390   1.00000   0.01560
O4   0.43830   0.19887   0.20770   1.00000   0.01390
O-h5   0.14840   0.02198   0.75040   1.00000   0.01140
O-h6   0.81800   0.10178   0.91590   1.00000   0.01160
Ow1   0.31320   0.16615   0.83610   1.00000   0.01180
Ow2   0.87800   0.25109   0.16830   1.00000   0.01650
H1   0.13700  -0.00700   0.69300   1.00000   0.02900
H2   0.81700   0.12900   0.97100   1.00000   0.02500
H3   0.35400   0.20300   0.78900   1.00000   0.02900
H4   0.34000   0.17700   0.96300   1.00000   0.03200
H5   0.96800   0.22400   0.23500   1.00000   0.03300
H6   0.73500   0.24100   0.17800   1.00000   0.03300
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 0.00830 0.01070 0.01090 0.00063 0.00163 0.00220
MgCu1 0.00830 0.01070 0.01090 0.00063 0.00163 0.00220
Cu2 0.00813 0.00980 0.01437 0.00096 0.00132 0.00045
Mg3 0.00950 0.01270 0.01050 -0.00010 0.00240 -0.00100
CuMg3 0.00950 0.01270 0.01050 -0.00010 0.00240 -0.00100
As 0.00849 0.00944 0.00868 -0.00036 0.00163 -0.00005
O1 0.01880 0.00950 0.01250 0.00210 0.00070 -0.00230
O2 0.01030 0.02100 0.01230 0.00010 -0.00180 0.00280
O3 0.00980 0.02460 0.01330 0.00360 0.00470 0.00210
O4 0.01690 0.01010 0.01550 -0.00080 0.00470 0.00190
O-h5 0.01110 0.01060 0.01240 -0.00030 0.00170 -0.00260
O-h6 0.01100 0.01150 0.01220 0.00020 0.00210 -0.00190
Ow1 0.01300 0.00900 0.01340 -0.00060 0.00240 0.00150
Ow2 0.01180 0.01410 0.02280 -0.00160 0.00100 0.00360