data_global
_chemical_name_mineral 'Timroseite'
loop_
_publ_author_name
'Kampf A R'
'Mills S J'
'Housley R M'
'Marty J'
'Thorne B'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 1560
_journal_page_last 1568
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: V.
 Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite,
 Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets
;
_database_code_amcsd 0017721
_chemical_compound_source 'Otto Mountain, Baker, California'
_chemical_formula_sum 'Pb2.04 Cu5 Te2 O14 H2'
_cell_length_a 5.2000
_cell_length_b 9.6225
_cell_length_c 11.5340
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 577.127
_exptl_crystal_density_diffrn      7.030
_symmetry_space_group_name_H-M 'P 21 n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  'x,y,-z'
  '1/2+x,-y,1/2-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
Pb1   0.12300   0.03560   0.00000   0.94000   0.02290
Pb1a   0.12500   0.07700   0.00000   0.09000   0.06000
Pb2   0.38200   0.38682   0.50000   0.84000   0.02080
Pb2a   0.27900   0.39600   0.50000   0.17000   0.06200
Cu1   0.66940   0.89920   0.18488   1.00000   0.01460
Cu2   0.72040   0.59878   0.32206   1.00000   0.01550
Cu3   0.13040   0.71440   0.50000   1.00000   0.02220
Te   0.20050   0.74917   0.24990   1.00000   0.01220
O1   0.38170   0.67470   0.38170   1.00000   0.01600
O2   0.00130   0.82590   0.12360   1.00000   0.01430
O3   0.35330   0.93090   0.27880   1.00000   0.01890
O4   0.91920   0.77160   0.36120   1.00000   0.01350
O5   0.03650   0.57180   0.21780   1.00000   0.01600
O6   0.50440   0.71730   0.15870   1.00000   0.01800
O-H1   0.53000   0.94730   0.00000   1.00000   0.02100
O-H2   0.79800   0.50660   0.50000   1.00000   0.02400
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 0.01980 0.02130 0.02770 0.00410 0.00000 0.00000
Pb1a 0.11000 0.03700 0.03500 0.03200 0.00000 0.00000
Pb2 0.01700 0.01780 0.02770 0.00130 0.00000 0.00000
Pb2a 0.07000 0.07500 0.04500 -0.01800 0.00000 0.00000
Cu1 0.01310 0.00930 0.02140 0.00030 0.00170 -0.00210
Cu2 0.01360 0.01080 0.02200 -0.00260 0.00360 -0.00220
Cu3 0.01940 0.02670 0.02040 0.00260 0.00000 0.00000
Te 0.01090 0.00920 0.01650 -0.00040 0.00010 0.00030
O1 0.00600 0.02100 0.02100 0.00900 0.00400 0.00100
O2 0.01500 0.01400 0.01400 -0.00500 -0.00500 0.00600
O3 0.02100 0.01000 0.02500 -0.00400 -0.00500 -0.00200
O4 0.01000 0.01400 0.01600 -0.00600 -0.00300 0.00200
O5 0.01100 0.00600 0.03100 0.00500 0.00800 -0.00100
O6 0.02200 0.00500 0.02600 -0.00500 0.00700 -0.00900
O-H1 0.01700 0.02300 0.02300 0.00200 0.00000 0.00000
O-H2 0.01000 0.04000 0.02200 0.00300 0.00000 0.00000