#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535457.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_1535457
loop_
_publ_author_name
'Tikhomirov, G.A.'
'Znamenkov, K.O.'
'Morozov, I.V.'
'Kemnitz, E.'
'Troyanov, S.I.'
_publ_section_title
;
 Anhydrous nitrates and nitrosonium nitratometallates of manganese and
 cobalt, M (N O3)2, N O (Mn (N O3)3), and (N O)2 (Co (N O3)4): synthesis
 and crystal structure
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              269
_journal_page_last               273
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Co N2 O6'
_chemical_name_systematic        'Co (N O3)2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   10.5
_cell_length_b                   10.5
_cell_length_c                   12.837
_cell_volume                     1225.668
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Tikhomirov_ZAACAB_2002_319.cif
_cod_data_source_block           Co1N2O6
_cod_original_formula_sum        'Co1 N2 O6'
_cod_database_code               1535457
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
O1 O-2 -0.0088 -0.1239 0.3376 1 0.0
O3 O-2 0.0641 -0.1031 0.1155 1 0.0
N1 N+5 0 0 0.338 1 0.0
Co1 Co+2 0.1667 -0.1667 0.3333 1 0.0
N2 N+5 -0.1018 -0.393 0.4503 1 0.0
O4 O-2 -0.0124 -0.3768 0.3791 1 0.0
O2 O-2 0.2412 -0.0596 0.4758 1 0.0
Co2 Co+2 0 0 0 1 0.0
