Crystal structure of pentacalcium bis(dinitridocobaltate(I)), Ca~5~ [CoN~2~]~2~, and a note on "Ca~3~CoN~3~"
Bendyna, Joanna K.; Höhn, Peter; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 165–166; doi:

data_8102970
_publ_section_title
;
Crystal structure of pentacalcium bis(dinitridocobaltate(I)), Ca~5~
[CoN~2~]~2~, and a note on "Ca~3~CoN~3~"
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              165
_journal_page_last               166
_journal_volume                  222
_journal_year                    2007
_chemical_formula_structural     Ca5[CoN2]2
_chemical_formula_sum            'Ca5 Co2 N4'
_chemical_name_systematic        ' pentacalcium bis[dinitridocobaltate(I)]'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.07670(10)
_cell_length_b                   8.07670(10)
_cell_length_c                   12.14011(16)
_cell_measurement_temperature    295
_cell_volume                     791.937(17)
_computing_structure_refinement  FULLPROF
_diffrn_detector                 'Image Plate'
_diffrn_measurement_device_type  'Huber Image Plate Guinier Camera G670'
_diffrn_measurement_method       Guinier
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_type           X-ray
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Co
_exptl_absorpt_coefficient_mu    7.35
_pd_char_colour                  black
_pd_char_particle_morphology     'size 5-20 \mm'
_pd_meas_2theta_range_inc        0.005000
_pd_meas_2theta_range_max        84.91500
_pd_meas_2theta_range_min        3.00000
_pd_meas_number_of_points        16384
_pd_proc_2theta_range_inc        0.005000
_pd_proc_2theta_range_max        84.9124
_pd_proc_2theta_range_min        2.9974
_pd_proc_ls_prof_R_factor        1.7170
_pd_proc_ls_prof_wR_expected     5.9372
_pd_proc_ls_prof_wR_factor       2.2318
_pd_proc_wavelength              1.789007
_refine_ls_number_parameters     27
_refine_ls_number_reflns         98
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            6.2486
_cod_data_source_file            409920.cff
_cod_data_source_block           Ca5Co2N4
_cod_depositor_comments
;
The following corrections have been performed
in the original file before processing it for deposition
(the diff against the Z. Krist. - NCS original is given):

Index: 2007/03/409920.cff
===================================================================
--- 2007/03/409920.cff    (revision 562)
+++ 2007/03/409920.cff    (revision 563)
@@ -212,7 +212,7 @@
 _chemical_formula_structural      'Ca5[CoN2]2' 
 _chemical_formula_analytical      ?
 _chemical_formula_iupac           ?
-_chemical_formula_sum             ?
+_chemical_formula_sum             'Ca5 Co2 N4'
 _chemical_formula_weight          ?
 _chemical_melting_point           ?
 _chemical_compound_source         ?       # for minerals and 

Saulius Gra\<zulis
2011-03-03

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        791.936(17)
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_database_code               8102970
_pd_proc_ls_prof_cr_factor       23.6235
_pd_proc_ls_prof_cwr_factor      12.8806
_pd_proc_ls_prof_cwr_expected    34.2654
_pd_proc_ls_prof_chi2            0.1413
_pd_proc_ls_prof_echi2           0.1426