#------------------------------------------------------------------------------
#$Date: 2023-02-20 14:34:15 +0100 (Mon 20 de Feb de 2023) $
#$Revision: 281045 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/63/7246300.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_7246300
loop_
_publ_author_name
'Jiang, Zhi'
'Liu, Hezhuang'
'Zou, Jihua'
'Huang, Yixuan'
'Xu, Zhaoquan'
'Pustovyi, Denys'
'Vitusevich, Svetlana'
_publ_section_title
;
 Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl,
 Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible
 electronic properties
;
_journal_issue                   9
_journal_name_full               'RSC Advances'
_journal_page_first              5993
_journal_page_last               6001
_journal_paper_doi               10.1039/D2RA07100B
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Cs3 Cu2 I5'
_chemical_name_systematic        'Tricesium Dicopper(I) Iodide'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2023-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1743
_cell_length_b                   11.6532
_cell_length_c                   14.3621
_cell_volume                     1702.816
_refine_ls_R_factor_all          0.0709
_cod_data_source_file            d2ra07100b2.cif
_cod_data_source_block           150298-ICSD
_cod_original_cell_volume        1702.82
_cod_database_code               7246300
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x+1/2, y, -z+1/2'
2 'x, -y+1/2, z'
3 '-x+1/2, y+1/2, z+1/2'
4 '-x, -y, -z'
5 '-x+1/2, -y, z+1/2'
6 '-x, y+1/2, -z'
7 'x+1/2, -y+1/2, -z+1/2'
8 'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cs1 Cs1+ 0.5948 0.25 0.5506
Cs2 Cs1+ 0.0524 0.9897 0.6783
Cu1 Cu1+ 0.2409 0.25 0.3701
Cu2 Cu1+ 0.2125 0.25 0.5473
I1 I1- 0.6918 0.5609 0.5516
I2 I1- 0.1574 0.25 0.2069
I3 I1- 0.9682 0.25 0.5108
I4 I1- 0.3012 0.25 0.7163
loop_
_citation_id
_citation_doi
_citation_year
1 10.1016/j.jssc.2004.05.004 2004
