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#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/91/1509181.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_1509181
loop_
_publ_author_name
'Graudejus, O.'
'Mueller, B.G.'
_publ_section_title
;
 Ag2+ in trigonal-bipyramidaler Umgebung: Neue Fluoride mit zweiwertigem
 Silber: Ag M(II)3 M(IV)3 F20 (M(II) = Cd, Ca, Hg; M(IV) = Zr, Hf)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1549
_journal_page_last               1556
_journal_paper_doi               10.1002/zaac.19966220918
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'Ag Cd3 F20 Hf3'
_chemical_name_systematic        'Ag Cd3 Hf3 F20'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.48
_cell_length_b                   10.48
_cell_length_c                   8.326
_cell_volume                     791.935
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_143.cif
_cod_data_source_block           Ag1Cd3F20Hf3
_cod_original_cell_volume        791.9351
_cod_original_formula_sum        'Ag1 Cd3 F20 Hf3'
_cod_database_code               1509181
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
F7 F-1 0.9645 0.2 0.25 1 0.0
Ag1 Ag+2 0 0 0.25 1 0.0
F2 F-1 0.941 0.415 0.25 1 0.0
F3 F-1 0.3665 0.5505 0.25 1 0.0
F1 F-1 0.6667 0.3333 0.25 1 0.0
Cd1 Cd+2 0.7282 0.1624 0.25 1 0.0
F5 F-1 0.2257 0.2797 0.25 1 0.0
F6 F-1 0 0 0 1 0.0
Hf1 Hf+4 0.13782 0.41573 0.25 1 0.0
F4 F-1 0.1457 0.4246 0.0109 1 0.0
