Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3
Yahia, H. Ben; Essehli, R.; Avdeev, M.; Park, J-B.; Sun, Y-K.; Al-Maadeed, M.A.; Belharouak, I.; Journal of Solid State Chemistry 238 (2016) 103–108; doi:10.1016/j.jssc.2016.03.011

data_1561493
_publ_section_title
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 Neutron diffraction studies of the Na-ion battery electrode materials
 NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3
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_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              103
_journal_page_last               108
_journal_paper_doi               10.1016/j.jssc.2016.03.011
_journal_volume                  238
_journal_year                    2016
_chemical_formula_sum            'Co Cr2 Na O12 P3'
_chemical_formula_weight         470.82
_space_group_IT_number           74
_space_group_name_Hall           '-I 2b 2'
_space_group_name_H-M_alt        'I m m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'I m m a'
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_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
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_cell_length_b                   13.0366(7)
_cell_length_c                   6.38045(32)
_cell_measurement_reflns_used    122
_cell_measurement_temperature    295
_cell_measurement_theta_max      146.5
_cell_measurement_theta_min      8.0
_cell_volume                     866.49(7)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Neutron powder diffractometer'
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.4395
_pd_calc_method                  'Rietveld Refinement'
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_pd_meas_2theta_range_max        163.95
_pd_meas_2theta_range_min        2.75
_pd_phase_name                   ech0013836_H10_2p4A_RT.cif
_pd_proc_2theta_range_inc        0.05
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_pd_proc_info_datetime           2015-11-30T09:14:48
_pd_proc_ls_peak_cutoff          0.00100
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_refine_ls_matrix_type           full
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_refine_ls_shift/su_max          0.04
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_reflns_d_resolution_high        1.284
_reflns_d_resolution_low         6.518
_reflns_limit_h_max              8
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_reflns_limit_k_max              10
_reflns_limit_k_min              0
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_reflns_limit_l_min              0
_reflns_number_total             124
_cod_data_source_file            JSSC-2016-238-103.cif
_cod_data_source_block           ECH0014447_NaCoCr2(PO4)3
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' 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 (85 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' 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 (21 times).

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
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_cod_original_cell_volume        866.50(9)
_cod_database_code               1561493