First ternary tungsten tellurate(IV) WTe<sub>2</sub>O<sub>7</sub> with unique crystal structure type.
Ziegler, Raimund; Purtscher, Felix R. S.; Schwartz, Heidi A.; Hofer, Thomas S.; Heymann, Gunter; Dalton transactions (Cambridge, England : 2003) 52 (2023) 2243–2254; doi:10.1039/d2dt03419k

data_7711944
_publ_section_title
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 First ternary tungsten tellurate(IV) WTe<sub>2</sub>O<sub>7</sub> with
 unique crystal structure type.
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_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2243
_journal_page_last               2254
_journal_paper_doi               10.1039/d2dt03419k
_journal_volume                  52
_journal_year                    2023
_chemical_formula_sum            'O7 Te2 W'
_chemical_formula_weight         551.05
_chemical_name_common            'tungsten tellurate'
_chemical_name_systematic        WTe2O7
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
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2022-10-13 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
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_cell_angle_alpha                72.4360(10)
_cell_angle_beta                 85.695(2)
_cell_angle_gamma                68.1060(10)
_cell_formula_units_Z            2
_cell_length_a                   5.3831(2)
_cell_length_b                   6.8749(3)
_cell_length_c                   8.0230(4)
_cell_measurement_reflns_used    9869
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      39.42
_cell_measurement_theta_min      2.67
_cell_volume                     262.42(2)
_computing_cell_refinement       'Bruker SAINT-V 8.34A'
_computing_data_collection       'Bruker Apex III'
_computing_data_reduction        'Bruker SAINT-V 8.34A'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    SHELXTL-2013/1
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 10.4
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON 100'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multi layered optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_unetI/netI     0.0192
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            22468
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         39.464
_diffrn_reflns_theta_min         2.665
_diffrn_source                   'Incoatec Microfocus'
_exptl_absorpt_coefficient_mu    32.884
_exptl_absorpt_correction_T_max  0.7477
_exptl_absorpt_correction_T_min  0.5505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker DIFABS-2014/5'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    6.974
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_recrystallization_method High-pressure/high-temperature
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.925
_refine_diff_density_min         -1.875
_refine_diff_density_rms         0.275
_refine_ls_extinction_coef       0.00302(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     106
_refine_ls_number_reflns         3157
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0187
_refine_ls_R_factor_gt           0.0155
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0131P)^2^+0.5744P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0316
_refine_ls_wR_factor_ref         0.0323
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2932
_reflns_number_total             3157
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt03419k3.cif
_cod_data_source_block           RZ079_0m
_cod_depositor_comments          'Adding full bibliography for 7711944.cif.'
_cod_database_code               7711944
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.353
_shelx_estimated_absorpt_t_max   0.735
_exptl_absorpt_special_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
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_shelx_res_checksum              66574
_shelx_hkl_checksum              54539