data_global
_chemical_name_mineral 'Eckhardite'
loop_
_publ_author_name
'Kampf A R'
'Mills S J'
'Housley R M'
'Rossman G R'
'Marty J'
'Thorne B'
_journal_name_full 'American Mineralogist'
_journal_volume 98 
_journal_year 2013
_journal_page_first 1617
_journal_page_last 1623
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: XI.
 Eckhardite, (Ca,Pb)Cu2+Te6+O5(H2O), a new mineral with HCP stair-step layers
;
_database_code_amcsd 0020260
_chemical_compound_source 'Otto Mountain near Baker, California, USA'
_chemical_formula_sum 'Ca.962 Pb.073 Cu.971 Mg.005 Fe.002 Te.986 O6 H2'
_cell_length_a 8.1606
_cell_length_b 5.3076
_cell_length_c 11.4412
_cell_angle_alpha 90
_cell_angle_beta 101.549
_cell_angle_gamma 90
_cell_volume 485.522
_exptl_crystal_density_diffrn      4.644
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-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
Ca   0.23620   0.99680   0.36980   0.96200   0.01750
Pb   0.23620   0.99680   0.36980   0.07300   0.01750
Cu   0.89400   0.56330   0.23743   0.97100   0.01320
Mg   0.89400   0.56330   0.23743   0.00500   0.01320
Fe   0.89400   0.56330   0.23743   0.00200   0.01320
Te   0.93390   0.04791   0.11673   0.98600   0.00990
O1   0.79180   0.30490   0.05320   1.00000   0.01400
O2   0.03750   0.26340   0.24230   1.00000   0.01100
O3   0.07070   0.77240   0.19210   1.00000   0.01100
O4   0.76330   0.88120   0.18430   1.00000   0.01400
O5   0.11440   0.15300   0.03220   1.00000   0.01600
Wat   0.03540   0.75600   0.44950   1.00000   0.02600
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
Ca 0.01840 0.01390 0.02040 0.00180 0.00440 0.00300
Pb 0.01840 0.01390 0.02040 0.00180 0.00440 0.00300
Cu 0.01540 0.00640 0.02080 0.00190 0.01060 0.00180
Mg 0.01540 0.00640 0.02080 0.00190 0.01060 0.00180
Fe 0.01540 0.00640 0.02080 0.00190 0.01060 0.00180
Te 0.01200 0.00630 0.01330 0.00030 0.00730 0.00050
O1 0.01000 0.02000 0.01200 0.00200 0.00100 0.00600
O2 0.01300 0.00900 0.01300 -0.00100 0.01000 -0.00400
O3 0.00700 0.01400 0.01300 -0.00600 0.00800 -0.00500
O4 0.01400 0.00600 0.02600 0.00100 0.01000 0.00400
O5 0.00900 0.02300 0.01600 -0.00200 0.00400 0.00000
Wat 0.02400 0.03000 0.02400 0.00300 0.00900 0.00000