data_9002509
_chemical_name 'Elyite'
loop_
_publ_author_name
'Kolitsch U'
'Giester G'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 1816
_journal_page_last 1821
_publ_section_title
;
 Elyite, Pb4Cu(SO4)O2(OH)4.H2O: Crystal structure and new data
;
_chemical_formula_sum 'Pb4 Cu S O11 H5'
_cell_length_a 14.233
_cell_length_b 11.532
_cell_length_c 14.611
_cell_angle_alpha 90
_cell_angle_beta 100.45
_cell_angle_gamma 90
_cell_volume 2358.399
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Pb1   0.76199   0.24357   0.16789 ?
Pb2   0.88621  -0.02750   0.07928 ?
Pb3   0.88293   0.01208   0.54651 ?
Pb4   0.73814  -0.24952   0.40510 ?
Pb5   0.75268   0.23200  -0.07526 ?
Pb6   0.74581  -0.23237   0.65231 ?
Pb7   0.62755   0.00700   0.49958 ?
Pb8   0.62995  -0.00198   0.03815 ?
Cu1   0.75912   0.00198   0.29219 ?
Cu2   0.49357  -0.24673   0.47751 ?
S1   0.59143  -0.00318  -0.23283 ?
S2   0.01662   0.22104   0.08822 ?
O1   0.53010   0.09780  -0.22460 ?
O2   0.65350   0.02130  -0.30170 ?
O3   0.53040  -0.10470  -0.26290 ?
O4   0.65390  -0.02640  -0.14210 ?
O5   0.06960   0.32830   0.08350 ?
O6   0.08420   0.12470   0.10690 ?
O7   0.96100   0.22710   0.16290 ?
O8   0.95190   0.20190  -0.00060 ?
O9   0.76010   0.35460   0.04540 ?
O10   0.76420   0.09990   0.06290 ?
O11   0.75470  -0.14650   0.03470 ?
O12   0.75620  -0.10380   0.51760 ?
O(H1)   0.66790  -0.07520   0.19930 ?
O(H2)   0.66620   0.07460   0.35390 ?
O(H3)   0.85230   0.07510   0.38820 ?
O(H4)   0.85690  -0.06090   0.22820 ?
O(H5)   0.57660  -0.17800   0.40300 ?
O(H6)   0.40560  -0.30040   0.55360 ?
O(H7)   0.58800  -0.20110   0.58330 ?
O(H8)   0.40410  -0.30940   0.37330 ?
O(W1)   0.03900   0.21450   0.35200 ?
O(W2)   0.84930   0.48220   0.23620 ?
H1   0.63800  -0.09000   0.23300   0.06000
H2   0.63400   0.11400   0.32800   0.04000
H3   0.89800   0.07800   0.36300   0.05000
H4   0.91200  -0.07300   0.27100   0.05000
H5   0.56500  -0.17700   0.35200   0.07000
H6   0.44100  -0.30300   0.59600   0.06000
H7   0.54700  -0.18400   0.61400   0.04000
H8   0.44000  -0.30800   0.33600   0.06000
H9   0.99500   0.22400   0.37600   0.05000
H10   0.88900   0.52200   0.28300   0.06000