#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542093.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_1542093
loop_
_publ_author_name
'Stomberg, R.'
_publ_section_title
;
 The crystal structure of potassiumdiperoxotricyanochromate(IV), K3 (Cr
 (O2)2 (C N)3)
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              401
_journal_page_last               430
_journal_volume                  23
_journal_year                    1965
_chemical_formula_sum            'C3 Cr K3 N3 O4'
_chemical_name_systematic        'K3 (Cr (O2)2 (C N)3)'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.12
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.526
_cell_length_b                   7.628
_cell_length_c                   12.108
_cell_volume                     993.032
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Stomberg_ARKEAD_1965_682.cif
_cod_data_source_block           C3Cr1K3N3O4
_cod_original_cell_volume        993.0319
_cod_original_sg_symbol_Hall     '-P 2yc (z,y,-x)'
_cod_original_formula_sum        'C3 Cr1 K3 N3 O4'
_cod_database_code               1542093
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
-x,-y,-z
x-1/2,-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
K2 K+1 0.25 0.5904 0.5 1 0.0
Cr1 Cr+4 0.0294 0.2349 0.2199 1 0.0
K3 K+1 0.1697 0.6475 0.1259 1 0.0
O3 O-1 0.1826 0.355 0.2891 1 0.0
C3 C+2 0.9459 0.4773 0.1616 1 0.0
K4 K+1 0.3822 0.141 0.3244 1 0.0
N3 N-3 0.9005 0.6098 0.1253 1 0.0
N1 N-3 0.9733 0.284 0.4577 1 0.0
K1 K+1 0.25 0.1286 0 1 0.0
O2 O-1 0.9319 0.132 0.0764 1 0.0
C1 C+2 0.9947 0.2704 0.3753 1 0.0
O4 O-1 0.1608 0.2948 0.1695 1 0.0
C2 C+2 0.1156 0.9938 0.286 1 0.0
O1 O-1 0.8705 0.1253 0.1609 1 0.0
N2 N-3 0.1632 0.8629 0.3231 1 0.0
