Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure
Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana; CrystEngComm 23 (2021) 5624–5635; doi:10.1039/D1CE00750E

data_7243341
_publ_section_title
;
 Study of flux crystal growth peculiarities, structure and Raman spectra
 of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite
 structure
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              5624
_journal_page_last               5635
_journal_paper_doi               10.1039/D1CE00750E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety
;
B4 Cu Mn4 Ni7 O20
;
_chemical_formula_sum            'B4 Cu Mn4 Ni7 O20'
_chemical_formula_weight         1057.38
_chemical_name_mineral
;
;
_space_group_IT_number           55
_space_group_name_Hall           '-P 2 2ab'
_space_group_name_H-M_alt        'P b a m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_audit_update_record
;
2021-06-04 deposited with the CCDC.	2021-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.19375(21)
_cell_length_b                   12.33041(24)
_cell_length_c                   3.016669(51)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    300
_cell_measurement_theta_max      50.0001895
_cell_measurement_theta_min      4.9991668
_cell_volume                     341.978(12)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    41.943
_exptl_crystal_density_diffrn    5.134
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160203
_pd_meas_2theta_range_max        100.000379
_pd_meas_2theta_range_min        9.9983336
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 2 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        1.124
_pd_proc_ls_prof_wR_expected     1.161
_pd_proc_ls_prof_wR_factor       1.425
_pd_proc_number_of_points        5618
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.228
_refine_ls_R_I_factor            1.379
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            d1ce00750e2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7243341--7243343.cif.'
_cod_original_sg_symbol_Hall
;
-P 2 2ab
;
_cod_original_sg_symbol_H-M      Pbam
_cod_original_formula_sum
;
B4 Cu Mn4 Ni7 O20
;
_cod_database_code               7243341