#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/74/1537461.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_1537461
loop_
_publ_author_name
'Jandali, M.Z.'
'Eulenberger, G.'
'Hahn, H.'
_publ_section_title
;
 Die Kristallstrukturen von Hg2 P2 S6 und Hg2 P2 Se6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              105
_journal_page_last               118
_journal_volume                  447
_journal_year                    1978
_chemical_formula_sum            'Hg2 P2 S6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.21
_cell_angle_beta                 105.69
_cell_angle_gamma                119.15
_cell_formula_units_Z            1
_cell_length_a                   6.252
_cell_length_b                   6.262
_cell_length_c                   7.126
_cell_volume                     224.820
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jandali_ZAACAB_1978_867.cif
_cod_data_source_block           Hg2P2S6
_cod_original_cell_volume        224.8199
_cod_database_code               1537461
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
S1 S-2 0.0761 0.3345 0.1901 1 0.0
S2 S-2 0.2883 0.2543 0.7368 1 0.0
S3 S-2 0.5024 0.1401 0.2804 1 0.0
P1 P+4 0.4546 0.4375 0.3312 1 0.0
Hg1 Hg+2 0.8822 0.2511 0.661 1 0.0
