Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution
de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.; Journal of Solid State Chemistry 188 (2012) 1–10; doi:10.1016/j.jssc.2012.01.048

data_1563013
_publ_section_title
;
 Heat capacity and neutron diffraction studies on the frustrated magnetic
 Co2(OH)(PO4)1&#x2212;x(AsO4)x [0&#x2264;x&#x2264;1] solid solution
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.1016/j.jssc.2012.01.048
_journal_volume                  188
_journal_year                    2012
_chemical_formula_sum            'As0.1 Co2 H O5 P0.9'
_chemical_formula_weight         234.24
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.0509(5)
_cell_length_b                   8.3946(6)
_cell_length_c                   5.9533(4)
_cell_measurement_temperature    300
_cell_volume                     402.35(5)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59380
_diffrn_source                   'nuclear reactor'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050016
_pd_meas_2theta_range_max        159.95000
_pd_meas_2theta_range_min        0.00000
_pd_meas_number_of_points        3200
_pd_proc_2theta_range_inc        0.050016
_pd_proc_2theta_range_max        159.9849
_pd_proc_2theta_range_min        0.0349
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.1789
_pd_proc_ls_prof_wR_expected     5.1278
_pd_proc_ls_prof_wR_factor       2.7713
_pd_proc_wavelength              1.593800
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     31
_refine_ls_number_reflns         452
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.7876
_cod_data_source_file            JSSC-2012-188-1.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' 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        402.34(5)
_cod_original_formula_sum        'H As0.1 Co2 P0.9 O5'
_cod_database_code               1563013
_pd_proc_ls_prof_cr_factor       17.8481
_pd_proc_ls_prof_cwr_factor      15.3349
_pd_proc_ls_prof_cwr_expected    28.3743
_pd_proc_ls_prof_chi2            0.2921
_pd_proc_ls_prof_echi2           0.2972