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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/9/01/63/9016326.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_9016326
loop_
_publ_author_name
'Asbrink, S.'
'Waskowska, A.'
_publ_section_title
;
 CuO: x-ray single-crystal structure determination at 196 K and room temperature
 Note: T = room temperature
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8173
_journal_page_last               8180
_journal_paper_doi               10.1088/0953-8984/3/42/012
_journal_volume                  3
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.546
_cell_angle_gamma                90
_cell_length_a                   4.6927
_cell_length_b                   3.4283
_cell_length_c                   5.1370
_cell_formula_units_Z            4
_cell_volume                     81.500
_database_code_amcsd             0018822
_exptl_crystal_density_diffrn    6.483
_cod_database_code               9016326
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
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 0.00660 0.00870 0.00580 0.00180 0.00220 0.00000
O 0.00620 0.01190 0.00540 -0.00200 0.00310 -0.00050
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu 0.25000 0.24670 0.00000
O -0.01040 0.41770 0.26020
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018822