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#$Date: 2025-08-19 13:01:59 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301802 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/73/2107370.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107370
loop_
_publ_author_name
'Panagiotopoulos, N.C.'
'Brown, I.D.'
_publ_section_title
;
 The crystal structure of beta-Na2 Cr2 O7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1352
_journal_page_last               1357
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cr2 Na2 O7'
_chemical_name_systematic        'Na2 (Cr2 O7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.41
_cell_angle_beta                 109.57
_cell_angle_gamma                114.26
_cell_formula_units_Z            4
_cell_length_a                   7.702
_cell_length_b                   10.38
_cell_length_c                   9.402
_cell_volume                     638.561
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Panagiotopoulos_ACBCAR_1972_30.cif
_cod_data_source_block           Cr2Na2O7
_cod_original_cell_volume        638.5614
_cod_database_code               2107370
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O14 O-2 0.0762 0.6217 0.7693 1 0.0
O3 O-2 -0.1368 0.0913 0.015 1 0.0
O4 O-2 0.3598 0.1634 0.5812 1 0.0
O10 O-2 -0.1591 0.5969 0.4759 1 0.0
Cr4 Cr+6 0.2332 0.5588 0.9095 1 0.0
O6 O-2 0.1992 -0.0871 0.4072 1 0.0
O8 O-2 -0.3367 0.5531 0.6831 1 0.0
Cr2 Cr+6 0.2488 0.0803 0.4091 1 0.0
Na3 Na+1 0.2941 0.8263 0.2146 1 0.0
Na4 Na+1 -0.2334 0.7414 0.8979 1 0.0
Na1 Na+1 0.3774 0.3511 0.7359 1 0.0
Na2 Na+1 -0.2391 0.2267 0.393 1 0.0
O12 O-2 0.4257 0.5752 0.8634 1 0.0
O13 O-2 0.1086 0.3916 0.9152 1 0.0
O2 O-2 -0.238 -0.1542 0.1238 1 0.0
O5 O-2 0.3937 0.1479 0.3109 1 0.0
Cr3 Cr+6 -0.1751 0.5287 0.6285 1 0.0
O9 O-2 -0.2299 0.3606 0.6031 1 0.0
O1 O-2 -0.3849 0.0258 0.1747 1 0.0
O11 O-2 0.3167 0.652 0.0729 1 0.0
O7 O-2 0.0188 0.0999 0.3237 1 0.0
Cr1 Cr+6 -0.1939 0.0119 0.1509 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139064532
