data_global
_chemical_name_mineral 'Connellite'
loop_
_publ_author_name
'Hibbs D E'
'Leverett P'
'Williams P A'
_journal_name_full 'Axis'
_journal_volume 2 
_journal_year 2006
_journal_page_first 1
_journal_page_last 7
_publ_section_title
;
 Connellite from Bisbee, Arizona: A single-crystal X-ray study
;
_database_code_amcsd 0012063
_chemical_compound_source 'Bisbee, Arizona, USA'
_chemical_formula_sum 'Cu7.5 Cl.827 O28.487 N.021 S.056 H27.75'
_cell_length_a 15.7866
_cell_length_b 15.7866
_cell_length_c 9.1015
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1964.359
_exptl_crystal_density_diffrn      1.677
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-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
Cu(1)   0.50000   0.00000   0.00000   0.25000   0.01400
Cu(2)   0.20110   0.00000   0.00000   0.50000   0.01200
Cu(3)   0.33640   0.16820   0.75000   0.25000   0.01000
Cu(4)   0.35850   0.01650   0.25000   0.50000   0.01000
Cl(3)   0.00000   0.00000   0.00000   0.04300   0.01100
Cl(1)   0.27720   0.13860   0.25000   0.25000   0.01200
O-H1   0.45040   0.37070   0.09180   1.00000   0.01200
O-H2   0.07490  -0.07490   0.09890   0.50000   0.02000
O-H3   0.67440   0.74420   0.11020   1.00000   0.01100
O-H4   0.44240   0.55760   0.25000   0.25000   0.01400
OW   0.50700   0.25400   0.75000   0.04000   0.01700
Cl(4)   0.66667   0.33333   0.25000   0.03400   0.01500
N(1)   0.66667   0.33333   0.25000   0.02100   0.01500
O(1a)   0.62260   0.37740   0.25000   0.06300   0.01700
O(1b)   0.61500   0.38500   0.25000   0.08400   0.01700
S(1)   0.66667   0.33333   0.29990   0.02800   0.01400
O(1c)   0.66667   0.33333   0.46200   0.02800   0.01400