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#$Date: 2016-11-27 21:25:27 +0200 (Sun, 27 Nov 2016) $
#$Revision: 188714 $
#$URL: file:///home/coder/svn-repositories/cod/cif/6/00/01/6000132.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_6000132
loop_
_publ_author_name
'Chen, Z.'
'Wang, R.-J.'
_publ_section_title
;
 Crystal structures and semiconductor properties of alkline metal
 selenides MHgSbSe₃ (M = K, Rb, Cs)
;
_journal_issue                   3
_journal_name_full               'Acta Chimica Sinica'
_journal_page_first              326
_journal_page_last               331
_journal_volume                  58
_journal_year                    2000
_chemical_formula_sum            'Cs Hg Sb Se3'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   4.444(1)
_cell_length_b                   15.514(6)
_cell_length_c                   11.261(7)
_cell_volume                     776.38
_refine_ls_R_factor_all          0.0605
_refine_ls_structure_factor_coef Fsqd
_refine_ls_wR_factor_all         0.1234
_cod_database_code               6000132
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg(1) Hg 0 0.4541(1) 0.25 0.0197(6)
Cs(1) Cs 0.5 0.2413(2) 0.25 0.037(1)
Sb(1) Sb 0.5 0.5280(2) 0.4997(4) 0.0126(9)
Se(1) Se 0.5 0.5583(3) 0.25 0.044(2)
Se(2) Se 0 0.3708(2) 0.0502(3) 0.044(1)
