data_global
_chemical_name_mineral 'Agaite'
loop_
_publ_author_name
'Kampf A R'
'Mills S J'
'Housley R M'
'Marty J'
_journal_name_full 'American Mineralogist'
_journal_volume 98 
_journal_year 2013
_journal_page_first 512
_journal_page_last 517
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX.
 Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets
;
_database_code_amcsd 0019782
_chemical_compound_source 'Otto Mountain near Baker, California, USA'
_chemical_formula_sum 'Pb3 Cu Te C O10 H2'
_cell_length_a 10.6522
_cell_length_b 9.1630
_cell_length_c 9.6011
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 937.126
_exptl_crystal_density_diffrn      6.994
_symmetry_space_group_name_H-M 'P c a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,z'
  '1/2-x,y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1   0.38350   0.73371   0.57261   0.01575
Pb2   0.80327   0.71021   0.56008   0.01820
Pb3   0.61180   0.03814   0.42405   0.02222
Cu   0.60759   0.43910   0.40337   0.01280
Te   0.37010   0.52602   0.26536   0.01030
C   0.35970   0.01820   0.28500   0.02200
O1   0.36050   0.02680   0.41470   0.02700
O2   0.25450   0.02120   0.21570   0.02800
O3   0.46550   0.00420   0.21400   0.03300
O4   0.25380   0.66770   0.32930   0.01400
O5   0.25790   0.37160   0.30930   0.01900
O6   0.69330   0.48030   0.57820   0.01500
O7   0.51360   0.40120   0.23380   0.01210
O8   0.44610   0.52750   0.44920   0.01600
O-H9   0.48100   0.69110   0.20880   0.02000
O-H10   0.59380   0.80100   0.47120   0.02000
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
Pb1 0.01700 0.01740 0.01290 0.00409 -0.00110 0.00080
Pb2 0.01480 0.02100 0.01880 -0.00200 0.00040 0.00140
Pb3 0.02010 0.01740 0.02920 -0.00060 0.00050 -0.00030
Cu 0.01050 0.01870 0.00930 0.00200 -0.00040 -0.00100
Te 0.00890 0.01500 0.00710 0.00090 -0.00030 -0.00010
C 0.01300 0.01500 0.03600 0.00200 -0.00200 -0.00800
O1 0.02000 0.03900 0.02200 0.00400 0.01100 -0.00100
O2 0.02200 0.03000 0.03200 -0.00900 -0.00800 0.01000
O3 0.02300 0.04600 0.02900 0.01800 0.00500 0.00600
O4 0.01100 0.01500 0.01600 -0.00400 -0.00400 -0.00500
O5 0.02000 0.03000 0.00900 -0.01300 0.00200 0.00500
O6 0.00800 0.02800 0.00800 0.00000 0.00600 -0.00200
O7 0.01500 0.01100 0.01100 0.00300 0.00000 0.00100
O8 0.01300 0.02300 0.01100 -0.00100 0.00000 0.00000
O-H9 0.01300 0.02900 0.01800 -0.00500 0.01400 0.00300
O-H10 0.00700 0.02800 0.02500 -0.00500 -0.00100 -0.00500