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#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208377 $
#$URL: svn://www.crystallography.net/cod/cif/6/00/01/6000133.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_6000133
loop_
_publ_author_name
'Chen, Z.'
'Wang, R.-J.'
_publ_section_title
;
 Crystal structures and semiconductor properties of alkaline 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            'Hg Rb Sb Se3'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 106.600
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   7.7580
_cell_length_b                   11.2340
_cell_length_c                   8.8490
_cell_volume                     739.08
_refine_ls_R_factor_all          0.0552
_refine_ls_structure_factor_coef Fsqd
_refine_ls_wR_factor_all         0.1198
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_database_code               6000133
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y+1/2,z+1/2
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 0.5918(1) 0.75098(9) 0.0229(1) 0.0116(3)
Rb(1) Rb 0.0160(3) 0.7376(3) -0.1190(3) 0.0249(6)
Sb(1) Sb 0.4393(2) 1.0000(1) 0.2340(2) 0.0062(4)
Se(1) Se 0.3728(3) 0.7715(2) 0.2185(2) 0.0037(5)
Se(2) Se 0.7724(3) 0.5524(2) 0.0957(3) 0.0113(5)
Se(3) Se 0.7725(3) 0.9489(2) 0.0423(3) 0.0102(5)
