#------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/00/1100028.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1100028
loop_
_publ_author_name
'Tunell, G.'
'Posnjak, E.'
'Ksanda, C. J.'
_publ_section_title
;
 Geometrical and Optical Properties, and Crystal Structure of Tenorite
;
_journal_coden_ASTM              ZKKKAJ
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              120
_journal_page_last               142
_journal_paper_doi               10.1524/zkri.1935.90.1.120
_journal_volume                  90
_journal_year                    1935
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_chemical_name_systematic        'copper(II) oxide'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 99.48(33)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.653(10)
_cell_length_b                   3.41(1)
_cell_length_c                   5.108(10)
_cell_volume                     79.9
_exptl_crystal_density_meas      6.45
_cod_database_code               1100028
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Cu1 Cu2+ 4 c 0.25 0.25 0. 1. 0 d
O1 O2- 4 e 0. 0.916 0.75 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cu2+ 2.000
O2- -2.000
_cod_duplicate_entry 1011148
