#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/99/9009905.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_9009905
loop_
_publ_author_name
'Rundqvist, S.'
'Runnsjo, G.'
_publ_section_title
;
 Crystal structure refinement of Cr3C2
 Note: values obtained from intensities recorded photographically
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1191
_journal_page_last               1199
_journal_paper_doi               10.3891/acta.chem.scand.23-1191
_journal_volume                  23
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 Cr3'
_chemical_name_mineral           Tongbaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5329
_cell_length_b                   2.8290
_cell_length_c                   11.4719
_cell_formula_units_Z            4
_cell_volume                     179.565
_database_code_amcsd             0011913
_exptl_crystal_density_diffrn    6.659
_cod_original_formula_sum        'Cr3 C2'
_cod_database_code               9009905
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cr1 0.01570 0.25000 0.40150 0.00203
Cr2 0.18080 0.25000 0.77370 0.00177
Cr3 0.86910 0.25000 0.93120 0.00152
C1 0.10080 0.25000 0.20550 0.00367
C2 0.24320 0.25000 0.95360 0.00215
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011913
