Solid state synthesis of a new ternary nitride MgMoN2 nanosheets and micromeshes
Wang, Liangbiao; Tang, Kaibin; Zhu, Yongchun; Li, Qianwen; Zhu, Baichuan; Wang, LianCheng; Si, Lulu; Qian, Yitai; Journal of Materials Chemistry 22 (2012) 14559–; doi:10.1039/c2jm30844d

data_7208132
_publ_section_title
;
 Solid state synthesis of a new ternary nitride MgMoN2 nanosheets and
 micromeshes
;
_journal_issue                   29
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              14559
_journal_paper_doi               10.1039/c2jm30844d
_journal_volume                  22
_journal_year                    2012
_chemical_formula_iupac          'Mg Mo N2'
_chemical_formula_structural     'Mg Mo N2'
_chemical_formula_sum            'Mg Mo N2'
_chemical_formula_weight         148.26
_chemical_name_systematic
;
Potassium Lanthanum Titanate
;
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   2.91081
_cell_length_b                   2.91081
_cell_length_c                   10.55029
_cell_measurement_temperature    298
_cell_volume                     77.415
_computing_cell_refinement
'<i>FULLPROF</i> (J. Rodriguez-Carvajal,2000)'
_computing_data_collection       'X'pert Data Collector (PANalytical,2003)'
_computing_data_reduction        'X'pert Data Collector'
_computing_molecular_graphics
'DIAMOND (Brandenburg, K.,1999.DIAMOND. Crystal Impact GbR, Bonn, Germany.)'
_computing_publication_material  'publCIF (Westrip,2010)'
_computing_structure_refinement  FULLPROF
_computing_structure_solution
;
coordinates taken from an isotypic compound (Kenji Toda <i>et
al.</i>,1996<i>b</i>)
;
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device_type  'PANalytical X'pert PRO'
_diffrn_measurement_method       'thin-slice \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_exptl_crystal_density_method    'not measured'
_pd_char_colour                  black
_pd_meas_2theta_range_inc        0.017
_pd_meas_2theta_range_max        129.990
_pd_meas_2theta_range_min        10.004
_pd_meas_number_of_points        7059
_pd_meas_scan_method             cont
_pd_phase_name                   MgMoN2
_pd_prep_temperature             973
_pd_proc_2theta_range_inc        0.017
_pd_proc_2theta_range_max        129.990
_pd_proc_2theta_range_min        10.004
_pd_proc_info_excluded_regions   none
_pd_proc_ls_prof_R_factor        0.143
_pd_proc_ls_prof_wR_expected     0.0196
_pd_proc_ls_prof_wR_factor       0.147
_pd_spec_mounting
;
packed powder pellet
;
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              20
_pd_spec_size_equat              20
_pd_spec_size_thick              1
_refine_ls_extinction_method     none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_restraints     0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0677P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_cod_data_source_file            c2jm30844d.txt
_cod_data_source_block           MgMoN2
_cod_depositor_comments
;
The following automatic conversions were performed:
'__pd_phase_name' tag replaced with '_pd_phase_name'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (96 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        77.4453
_cod_original_sg_symbol_H-M      P63/mmc
_cod_database_code               7208132