data_global
_chemical_name_mineral 'Rosasite'
loop_
_publ_author_name
'Perchiazzi N'
_journal_name_full 'Zeitschrift fur Kristallographie Supplement'
_journal_volume 23 
_journal_year 2006
_journal_page_first 505
_journal_page_last 510
_publ_section_title
;
 Crystal structure determination and Rietveld refinement of rosasite
 and mcguinnessite
;
_database_code_amcsd 0011132
_chemical_compound_source 'Ojuela mine, Durango, Mexico'
_chemical_formula_sum 'Cu1.2 Zn.8 C O5 H2'
_cell_length_a 12.8976
_cell_length_b 9.3705
_cell_length_c 3.1623
_cell_angle_alpha 90
_cell_angle_beta 110.262
_cell_angle_gamma 90
_cell_volume 358.536
_exptl_crystal_density_diffrn      4.124
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+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
Cu1   0.21030   0.00070   0.44900   1.00000   0.01290
Zn2   0.39450   0.23020   0.17300   0.80000   0.01630
Cu2   0.39450   0.23020   0.17300   0.20000   0.01630
C   0.14140   0.27450   0.66540   1.00000   0.01100
O1   0.13530   0.14200   0.76000   1.00000   0.00900
O2   0.23120   0.34330   0.86300   1.00000   0.01400
O3   0.05200   0.34470   0.47100   1.00000   0.01700
O-H4   0.35430   0.09460   0.64800   1.00000   0.01200
O-H5   0.41870   0.38500  -0.25600   1.00000   0.04900