#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520945.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_1520945
loop_
_publ_author_name
'Chen, Z.'
'Wang, R.-J.'
'Li, J.'
_publ_section_title
;
 New quaternary selenoantimonates A Hg Sb Se3 (A = Rb, Cs): synthesis,
 structures and optical properties
;
_journal_name_full
'Materials Research Society Symposia Proceedings'
_journal_page_first              419
_journal_page_last               424
_journal_volume                  547
_journal_year                    1999
_chemical_formula_sum            'Hg Rb Sb Se3'
_chemical_name_systematic        'Rb (Hg Sb Se3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.758
_cell_length_b                   11.234
_cell_length_c                   8.849
_cell_volume                     739.078
_citation_journal_id_ASTM        MRSPDH
_cod_data_source_file            Chen_MRSPDH_1999_547.cif
_cod_data_source_block           Hg1Rb1Sb1Se3
_cod_original_cell_volume        739.0777
_cod_original_formula_sum        'Hg1 Rb1 Sb1 Se3'
_cod_database_code               1520945
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
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_occupancy
_atom_site_U_iso_or_equiv
Se3 Se-2 0.7725 0.9489 0.0423 1 0.0
Rb1 Rb+1 0.016 0.7376 0.881 1 0.0
Sb1 Sb+3 0.4393 0 0.234 1 0.0
Hg1 Hg+2 0.5918 0.75098 0.0229 1 0.0
Se2 Se-2 0.7724 0.5524 0.0957 1 0.0
Se1 Se-2 0.3728 0.7715 0.2185 1 0.0
