#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/11/9011129.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011129
loop_
_publ_author_name
'de Boer, J. J.'
'Bright, D.'
'Helle, J. N.'
_publ_section_title
;
 The structure of the potassium salt of mu4-oxo-hexa-mu-chloro-
 tetra[chlorocuprate(II)], K4Cu4OCl10
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3436
_journal_page_last               3437
_journal_paper_doi               10.1107/S0567740872008088
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl10 Cu4 K4 O'
_chemical_name_mineral           Ponomarevite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.74
_cell_angle_gamma                90
_cell_length_a                   14.70
_cell_length_b                   14.88
_cell_length_c                   8.95
_cell_formula_units_Z            4
_cell_volume                     1893.260
_database_code_amcsd             0009464
_exptl_crystal_density_diffrn    2.740
_cod_original_formula_sum        'K4 Cu4 O Cl10'
_cod_database_code               9011129
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
K1 0.15900 0.12950 0.37580 0.03546
K2 0.13150 0.42710 0.14010 0.03800
Cu1 0.06140 0.29140 -0.36800 0.02305
Cu2 0.09210 0.14130 -0.11490 0.02634
O 0.00000 0.21680 -0.25000 0.01646
Cl1 0.19560 0.20420 -0.27420 0.03166
Cl2 -0.05210 0.22490 -0.58480 0.03166
Cl3 0.00000 0.41520 -0.25000 0.03420
Cl4 0.00000 0.01980 -0.25000 0.05446
Cl5 0.12140 0.38200 -0.51960 0.03166
Cl6 0.20610 0.05980 0.04230 0.02913
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009464
