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#$Date: 2025-08-18 17:02:58 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301777 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/73/1527396.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_1527396
loop_
_publ_author_name
'Gatehouse, B.M.'
'Leverett, P.'
_publ_section_title
;
 Redetermination of the crystal structure of ammonium chromate, (N H4)2 Cr
 O4
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              1857
_journal_page_last               1861
_journal_volume                  1969
_journal_year                    1969
_chemical_formula_sum            'Cr H8 N2 O4'
_chemical_name_systematic        '(N H4)2 (Cr O4)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3
_cell_length_b                   6.294
_cell_length_c                   7.664
_cell_volume                     535.073
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Gatehouse_JCSIAP_1969_1845.cif
_cod_data_source_block           H8Cr1N2O4
_cod_original_cell_volume        535.0733
_cod_original_formula_sum        'H8 Cr1 N2 O4'
_cod_database_code               1527396
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+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
_atom_site_attached_hydrogens
Cr1 Cr+6 0.17184 0 0.21223 1 0.0 0
O3 O-2 0.1405 0.2174 0.0754 1 0.0 0
N1 N-3 0.516 0 0.2512 1 0.0 4
O2 O-2 0.0903 0 0.3382 1 0.0 0
O1 O-2 0.3182 0 0.3549 1 0.0 0
N2 N-3 0.8409 0 0.266 1 0.0 4
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046040
