#------------------------------------------------------------------------------
#$Date: 2016-10-29 11:14:34 +0300 (Sat, 29 Oct 2016) $
#$Revision: 187685 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/44/1544409.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_1544409
loop_
_publ_author_name
'Hayakawa, H.'
'Akiba, E.'
'Ono, S.'
'Ihara, H.'
'Izumi, F.'
'Asano, H.'
_publ_section_title
;
 Refinement of the crystal strcutures of Cu6O8InCl and Cu6O8Cu2Cl by
 neutron powder diffraction
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              745
_journal_page_last               751
_journal_volume                  101
_journal_year                    1993
_chemical_formula_sum            'Cl0.71 Cu7.55 N0.29 O8.87'
_chemical_name_common            Cu5.8O8Cu1.75Cl0.71(NO3)0.29
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3806(4)
_cell_length_b                   9.3806(4)
_cell_length_c                   9.3806(4)
_cell_volume                     825.45(6)
_cod_data_source_file            Cu5.8O8Cu1.75Cl0.71NO30.29.cif
_cod_data_source_block           Cu5.8O8Cu1.75Cl0.71(NO3)0.29
_cod_original_formula_sum        'Cu7.55 O8.87 Cl0.71 N0.29'
_cod_database_code               1544409
loop_
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loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Cu1 0.9800 0.000000 0.250000 0.250000 Biso 1.010000 Cu
Cu2 0.2900 0.1305(10) 0.000000 0.000000 Biso 0.200000 Cu
O1 1.0 0.1441(2) 0.1441(2) 0.1441(2) Biso 0.920000 O
O2 0.0481 0.39(2) 0.000000 0.000000 Biso 3.100000 O
O3 0.0241 0.440(10) 0.120(10) 0.000000 Biso 3.100000 O
Cl 0.7100 0.500000 0.500000 0.500000 Biso 3.100000 Cl
N 0.2900 0.500000 0.500000 0.500000 Biso 3.100000 N
