Crystal structure, thermal and magnetic properties of Cr2V4O13
Patwe, S.J.; Achary, S.N.; Manjanna, J.; Kadam, R.M.; Salunke, H.G.; Tyagi, A.K.; Journal of Solid State Chemistry 183 (2010) 2770–2778; doi:10.1016/j.jssc.2010.09.015

data_1563379
_publ_section_title
;
 Crystal structure, thermal and magnetic properties of Cr2V4O13
;
_journal_issue                   12
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2770
_journal_page_last               2778
_journal_paper_doi               10.1016/j.jssc.2010.09.015
_journal_volume                  183
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_moiety         'Cr 2 O 13 V 4'
_chemical_formula_structural     Cr2(V4O13]
_chemical_formula_sum            'Cr2 O13 V4'
_chemical_formula_weight         515.76
_chemical_name_common            'Chromium tetravanadate'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 102.618(3)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.2651(3)
_cell_length_b                   9.2997(3)
_cell_length_c                   14.5215(5)
_cell_measurement_temperature    298
_cell_volume                     1089.21(7)
_computing_molecular_graphics    ATOMS62
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_detector                 'Proportional counter'
_diffrn_detector_type            PW3011/20
_diffrn_measurement_device_type  'PAnalytical X'pert Pro'
_diffrn_measurement_method       'Profile data'
_diffrn_radiation_monochromator  Graphite
_diffrn_radiation_type           X-ray
_diffrn_source                   'Sealed tube'
_diffrn_source_target            Cu
_pd_char_colour                  Brown
_pd_instr_location               ' Chemistry Division, BARC, Mumbai, INDIA'
_pd_meas_2theta_range_inc        0.020000
_pd_meas_2theta_range_max        120.00000
_pd_meas_2theta_range_min        10.00000
_pd_meas_number_of_points        5501
_pd_meas_scan_method             Step
_pd_prep_temperature             800
_pd_proc_2theta_range_inc        0.020000
_pd_proc_2theta_range_max        120.0543
_pd_proc_2theta_range_min        10.0543
_pd_proc_ls_background_function  'Linear inetrpolation'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        7.2415
_pd_proc_ls_prof_wR_expected     5.6714
_pd_proc_ls_prof_wR_factor       9.6009
_pd_proc_wavelength              1.540600
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              Reflection
_pd_spec_shape                   'thin layer'
_pd_spec_size_axial              10
_pd_spec_size_equat              10
_refine_ls_number_parameters     78
_refine_ls_number_reflns         3412
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.0215
_cod_data_source_file            JSSC-2010-183-2770.cif
_cod_data_source_block           Cr2V4O13
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        1089.21(6)
_cod_database_code               1563379
_pd_proc_ls_prof_cr_factor       17.4163
_pd_proc_ls_prof_cwr_factor      19.3405
_pd_proc_ls_prof_cwr_expected    11.4248
_pd_proc_ls_prof_chi2            2.8658
_pd_proc_ls_prof_echi2           2.8658