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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/25/9012552.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_9012552
loop_
_publ_author_name
'Kjekshus, A.'
'Rakke, T.'
'Andresen, A.'
_publ_section_title
;
 Compounds of the marcasite type crystal structure. IX. Structural data for
 FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              996
_journal_page_last               1000
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Ni'
_chemical_name_mineral           Rammelsbergite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7582
_cell_length_b                   5.7949
_cell_length_c                   3.5440
_cell_formula_units_Z            2
_cell_volume                     97.720
_database_code_amcsd             0011937
_exptl_crystal_density_diffrn    7.087
_cod_original_formula_sum        'Ni As2'
_cod_database_code               9012552
loop_
_space_group_symop_operation_xyz
x,y,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+x,1/2-y,1/2-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni 0.00000 0.00000 0.00000
As 0.20170 0.36910 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011937
