#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/85/1538500.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_1538500
loop_
_publ_author_name
'Preiss, H.'
_publ_section_title
;
 Kristallstrukturanalyse des As Cl2 F3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              45
_journal_page_last               50
_journal_volume                  380
_journal_year                    1971
_chemical_formula_sum            'As Cl2 F3'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.75
_cell_length_b                   8.75
_cell_length_c                   6.23
_cell_volume                     476.984
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Preiss_ZAACAB_1971_607.cif
_cod_data_source_block           As1Cl2F3
_cod_original_cell_volume        476.9844
_cod_original_formula_sum        'As1 Cl2 F3'
_cod_database_code               1538500
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-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
F1 F-1 0.25 0.25 0.3967 1 0.0
As2 As+5 0.25 0.25 0.6722 1 0.0
As1 As+5 0.75 0.25 0 1 0.0
F3 F-1 0.1716 0.0619 0.6748 1 0.0
F2 F-1 0.25 0.25 0.9416 1 0.0
Cl1 Cl-1 0.7833 0.0655 0.815 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 15768785
