#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/74/1537460.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_1537460
loop_
_publ_author_name
'Jandali, M.Z.'
'Eulenberger, G.'
'Hahn, H.'
_publ_section_title
;
 Darstellung und Kristallstruktur des Quecksilber(II)-Thiodiphosphats Hg2
 P2 S7
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              184
_journal_page_last               192
_journal_volume                  445
_journal_year                    1978
_chemical_formula_sum            'Hg2 P2 S7'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.83
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.887
_cell_length_b                   5.827
_cell_length_c                   8.132
_cell_volume                     500.926
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jandali_ZAACAB_1978_352.cif
_cod_data_source_block           Hg2P2S7
_cod_original_cell_volume        500.9265
_cod_database_code               1537460
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-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
S4 S-2 0.5263 0.2623 0.2362 1 0.0
S1 S-2 0.2593 0.366 0.3563 1 0.0
P1 P+5 0.4131 0.5077 0.2944 1 0.0
Hg1 Hg+2 0.2092 0 0.1975 1 0.0
S3 S-2 0.8733 0.2484 0.1074 1 0.0
S2 S-2 0 0.2188 0.5 1 0.0
