#------------------------------------------------------------------------------
#$Date: 2024-01-03 17:57:02 +0200 (Wed, 03 Jan 2024) $
#$Revision: 288649 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009211.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009211
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              298
_journal_page_last               306
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     ZrAs2
_chemical_formula_sum            'As2 Zr'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.027
_cell_length_b                   6.801
_cell_length_c                   3.689
_cell_volume                     226.477
_database_code_amcsd             0011890
_exptl_crystal_density_diffrn    14.140
_cod_original_formula_sum        'Zr As2'
_cod_database_code               9009211
_amcsd_formula_title             ZrAs2
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-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,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zr -0.15900 0.22500 0.25000
As1 0.14800 0.08100 0.25000
As2 0.54100 0.12200 0.25000
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2024-01-03T17:55:00+02:00
;
 Corrected atom site coordinates after consulting the updated version of AMCSD
 entry 0011890. Added the _cell_formula_units_Z data item.
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011890