#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007928.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_9007928
loop_
_publ_author_name
'Kolitsch, U.'
_publ_section_title
;
 K4(CrO4)(NO3)2, the first chromate(VI)-nitrate
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i88
_journal_page_last               i90
_journal_paper_doi               10.1107/S1600536802016008
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     K4(CrO4)(NO3)2
_chemical_formula_sum            'Cr K4 N2 O10'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.31
_cell_angle_gamma                90
_cell_length_a                   10.143
_cell_length_b                   11.149
_cell_length_c                   9.837
_cell_formula_units_Z            4
_cell_volume                     1067.643
_exptl_crystal_density_diffrn    2.466
_cod_original_formula_sum        'K4 Cr N2 O10'
_cod_database_code               9007928
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+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
K1 0.35921 0.12280 0.03356 0.02566
K2 0.36336 0.87896 0.53445 0.02938
K3 0.09503 0.62574 0.61292 0.02560
K4 0.08402 0.12720 0.60806 0.02717
Cr 0.20415 0.88240 0.80931 0.01722
N1 0.15390 0.37197 0.79800 0.02140
N2 0.50700 0.63781 0.76790 0.02610
O1 0.15608 0.46875 0.86197 0.02960
O2 0.14715 0.27453 0.85857 0.02870
O3 0.15162 0.37247 0.66926 0.02910
O4 0.39740 0.58740 0.72750 0.08190
O5 0.54860 0.70990 0.69460 0.06200
O6 0.42160 0.12460 0.60650 0.05080
O7 0.37171 0.89410 0.84750 0.04330
O8 0.15907 0.75791 0.87380 0.02910
O9 0.14067 0.88209 0.63575 0.02420
O10 0.14221 0.99815 0.87589 0.02380
_cod_duplicate_entry 2201246
