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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015924.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_9015924
loop_
_publ_author_name
'Calos, N. J.'
'Forrester, J. S.'
'Schaffer, G. B.'
_publ_section_title
;
 A crystallographic contribution to the mechanism of a mechanically
 induced solid state reaction
 Note: milling time = 0 min
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              273
_journal_page_last               280
_journal_paper_doi               10.1006/jssc.1996.0113
_journal_volume                  122
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_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                 99.3086
_cell_angle_gamma                90
_cell_length_a                   4.6832
_cell_length_b                   3.4288
_cell_length_c                   5.1297
_cell_formula_units_Z            4
_cell_volume                     81.287
_database_code_amcsd             0018813
_exptl_crystal_density_diffrn    6.500
_cod_database_code               9015924
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu 0.00974 0.02263 0.01428 -0.00321 0.00711 -0.00176
O 0.01407 0.00893 0.03895 0.00000 -0.01067 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu 0.25000 0.25000 0.00000
O 0.00000 0.42810 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018813