#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/96/1509698.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_1509698
loop_
_publ_author_name
'Johrendt, D.'
'Tampier, M.'
_publ_section_title
;
 Neue azentrische Selenogermanate. I. Kristallstrukturen und chemische
 Bindung von A M2 Ge Se4 (A=Sr, Ba; M=Cu, Ag)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              312
_journal_page_last               320
_journal_paper_doi
10.1002/1521-3749(200103)627:3<312::AID-ZAAC312>3.0.CO;2-U
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ag2 Ba Ge Se4'
_chemical_name_systematic        'Ba Ag2 (Ge Se4)'
_space_group_IT_number           23
_symmetry_space_group_name_Hall  'I 2 2'
_symmetry_space_group_name_H-M   'I 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.058
_cell_length_b                   7.263
_cell_length_c                   8.253
_cell_volume                     423.067
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver2-3_16.cif
_cod_data_source_block           Ag2Ba1Ge1Se4
_cod_original_cell_volume        423.0674
_cod_original_formula_sum        'Ag2 Ba1 Ge1 Se4'
_cod_database_code               1509698
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,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
Ge1 Ge+4 0 0 0.5 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
Ag1 Ag+1 0 0.5 0.2092 1 0.0
Se1 Se-2 0.193 0.191 0.66025 1 0.0
