#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003541.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_2003541
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year         1995
_journal_page_first    	1029
_journal_page_last    	1032
_publ_section_title
;
Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~
;
_chemical_formula_moiety    	'K2 Ce (N O3 )6'
_chemical_formula_sum    	'Ce K2 N6 O18'
_chemical_formula_weight    	590.3
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '1/2+x,1/2-y,1/2+z'
    '-x,-y,-z'
    '1/2-x,1/2+y,1/2-z'
_cell_length_a    	12.707(4)
_cell_length_b    	6.6858(6)
_cell_length_c    	8.2535(7)
_cell_angle_alpha    	90
_cell_angle_beta    	91.547(8)
_cell_angle_gamma    	90
_cell_volume    	700.95(8)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	2.798
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	9
_cell_measurement_theta_max    	12
_exptl_absorpt_coefficient_mu    	4.0
_cell_measurement_temperature    	293
_exptl_crystal_description    	'irregular'
_exptl_crystal_size_max    	0.50
_exptl_crystal_size_mid    	0.25
_exptl_crystal_size_min    	0.20
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'orange'
_chemical_compound_source    	'see text'
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\q/2\q'
_exptl_absorpt_correction_type    	'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_absorpt_correction_T_min    	0.552
_exptl_absorpt_correction_T_max    	0.720
_diffrn_reflns_number    	1866
_reflns_number_total    	1530
_reflns_number_observed    	1354
_reflns_observed_criterion    	I>3\s(I)
_diffrn_reflns_av_R_equivalents    	0.028
_diffrn_reflns_theta_max    	27
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	7
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	8
_diffrn_reflns_limit_l_min    	-10
_diffrn_reflns_limit_l_max    	10
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	60
_diffrn_standards_decay_%    	-2.9
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.042
_refine_ls_wR_factor_obs    	0.061
_refine_ls_goodness_of_fit_obs    	2.2
_refine_ls_number_reflns    	1354
_refine_ls_number_parameters    	125
_refine_ls_hydrogen_treatment    	?
_refine_ls_weighting_scheme    	'1/\s^2^(F)'
_refine_ls_shift/esd_max    	<0.01
_refine_diff_density_max    	1.6
_refine_diff_density_min    	-1.8
_refine_ls_extinction_method    	'Stout & Jensen (1968)'
_refine_ls_extinction_coef    	1.9E-7
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_B_iso_or_equiv
    Ce .500 .500 .500 1.164(8)
    K .1602(1) .2758(2) .5417(2) 2.96(2)
    N1 .6819(3) .2328(6) .4627(5) 1.76(7)
    O11 .6196(3) .2162(5) .5766(4) 2.11(6)
    O12 .6696(3) .3876(5) .3735(4) 1.97(6)
    O13 .7496(3) .1095(6) .4363(6) 2.97(8)
    N2 .3872(3) .2195(6) .2832(5) 1.52(6)
    O21 .4848(3) .2061(5) .3142(4) 2.02(6)
    O22 .3412(3) .3647(5) .3570(4) 2.02(6)
    O23 .3394(3) .1075(5) .1948(5) 2.43(7)
    N3 .4504(3) .2546(6) .7834(5) 1.90(7)
    O31 .4072(3) .2222(5) .6448(4) 2.07(6)
    O32 .5048(3) .4140(5) .7960(4) 2.27(7)
    O33 .4418(3) .1398(5) .8968(5) 2.75(7)
_cod_database_code 2003541