data_global
_chemical_name_mineral 'Ponomarevite'
loop_
_publ_author_name
'Semenova T F'
'Rozhdestvenskaya I V'
'Filatov S K'
'Verasova L P'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 304 
_journal_year 1989
_journal_page_first 427
_journal_page_last 430
_publ_section_title
;
 Crystal structure of a new mineral ponomarevite, K4Cu4OCl10
;
_database_code_amcsd 0012479
_chemical_compound_source 'the main Tolbachik fissure eruption (1975-76), Kamchatka'
_chemical_formula_sum 'Cu4 K4 Cl10 O'
_cell_length_a 14.740
_cell_length_b 14.900
_cell_length_c 8.948
_cell_angle_alpha 90
_cell_angle_beta 104.79
_cell_angle_gamma 90
_cell_volume 1900.102
_exptl_crystal_density_diffrn      2.730
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cul   0.43862   0.29086   0.36773   2.16574
Cu2   0.40822   0.14100   0.11418   2.48237
K1   0.34083   0.12926   0.62424   3.54624
K2   0.13154   0.07278   0.14001   3.28027
Cl1   0.50000   0.41468   0.25000   3.47025
Cl2   0.05220   0.27569   0.08479   3.16629
Cl3   0.30406   0.20443   0.27378   3.48292
Cl4   0.29454   0.05970  -0.04216   3.26761
Cl5   0.37874   0.38144   0.51880   3.30560
Cl6   0.50000   0.01969   0.25000   4.38214
O   0.50000   0.21591   0.25000   1.95043