Rb<sub>8</sub>Nb<sub>10</sub>Ge<sub>6</sub>O<sub>41</sub>: a new niobium-germanate crystal featuring unique one-dimensional [Nb<sub>7</sub>O<sub>30</sub>]<sub>∞</sub> chains and wide mid-IR transparency.
Chai, Jing; She, Yuheng; Jiao, Jinmiao; Li, Lili; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang; Dalton transactions (Cambridge, England : 2003) 53 (2024) 2696–2702; doi:10.1039/d3dt04267g

data_7714933
_publ_section_title
;
 Rb<sub>8</sub>Nb<sub>10</sub>Ge<sub>6</sub>O<sub>41</sub>: a new
 niobium-germanate crystal featuring unique one-dimensional
 [Nb<sub>7</sub>O<sub>30</sub>]<sub>&#x221e;</sub> chains and wide mid-IR
 transparency.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2696
_journal_page_last               2702
_journal_paper_doi               10.1039/d3dt04267g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'Ge0.67 Nb1.11 O4.56 Rb0.89'
_chemical_formula_weight         300.49
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-12-08 deposited with the CCDC.	2024-01-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            18
_cell_length_a                   7.2567(16)
_cell_length_b                   12.446(3)
_cell_length_c                   22.200(5)
_cell_measurement_reflns_used    1975
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.38
_cell_measurement_theta_min      3.25
_cell_volume                     2005.0(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10421
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.250
_exptl_absorpt_coefficient_mu    16.928
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.479
_exptl_crystal_description       block
_exptl_crystal_F_000             2452
_exptl_transmission_factor_max   0.7456
_exptl_transmission_factor_min   0.4924
_refine_diff_density_max         1.494
_refine_diff_density_min         -1.556
_refine_diff_density_rms         0.310
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_reflns         2290
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1215
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0764P)^2^+22.6662P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1351
_refine_ls_wR_factor_ref         0.1672
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1399
_reflns_number_total             2290
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt04267g2.cif
_cod_data_source_block           1_a
_cod_depositor_comments          'Adding full bibliography for 7714933.cif.'
_cod_original_cell_volume        2005.1(7)
_cod_database_code               7714933
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              63661
_shelx_hkl_checksum              25301