Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace
Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica; Crystals 13 (2023) 1687–; doi:10.3390/cryst13121687

data_1570569
_publ_section_title
;
 Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the
 Floating Zone Method Using a Laser-Diode-Heated Furnace
;
_journal_issue                   12
_journal_name_full               Crystals
_journal_page_first              1687
_journal_paper_doi               10.3390/cryst13121687
_journal_volume                  13
_journal_year                    2023
_chemical_formula_moiety         'Dy2 O5 Si'
_chemical_formula_sum            'Dy2 O5 Si'
_chemical_formula_weight         433.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   .
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_audit_contact_author_name
;
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_audit_creation_date             2023-12-07
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Olex2 1.3
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_cell_length_b                   6.74837(16)
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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_diffrn_measurement_details
;
 1 omega -32.00 61.00 1.0000 99.7200
omega____ theta____ kappa____ phi______ frames
 - -7.9235 57.0000 -90.0000 93

 2 omega -57.00 14.00 1.0000 99.7200
omega____ theta____ kappa____ phi______ frames
 - -7.9235 -57.0000 -30.0000 71

 3 omega -75.00 16.00 1.0000 99.7200
omega____ theta____ kappa____ phi______ frames
 - -7.9235 -57.0000 120.0000 91

 4 omega -25.00 45.00 1.0000 99.7200
omega____ theta____ kappa____ phi______ frames
 - 6.0485 -99.0000 60.0000 70

 5 omega -18.00 75.00 1.0000 99.7200
omega____ theta____ kappa____ phi______ frames
 - 6.0485 57.0000 0.0000 93

 6 omega -18.00 75.00 1.0000 99.7200
omega____ theta____ kappa____ phi______ frames
 - 6.0485 57.0000 -120.0000 93

 7 omega -25.00 25.00 1.0000 99.7200
omega____ theta____ kappa____ phi______ frames
 - 6.0485 -99.0000 -120.0000 50

 8 omega -25.00 45.00 1.0000 99.7200
omega____ theta____ kappa____ phi______ frames
 - 6.0485 -99.0000 -180.0000 70
;
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur'
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_diffrn_orient_matrix_UB_22      -0.0529906000
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_diffrn_orient_matrix_UB_31      -0.0301310000
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_diffrn_orient_matrix_UB_33      -0.0520099000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9051
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.644
_diffrn_reflns_theta_min         4.604
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    34.537
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.61912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            orange
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    6.664
_exptl_crystal_description       block
_exptl_crystal_F_000             1488
_exptl_crystal_recrystallization_method
'Laser-heating floating zone furnace growth'
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.417
_refine_diff_density_min         -2.003
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_refine_ls_extinction_coef       0.00135(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_reflns         1113
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0277
_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^)+(0.0264P)^2^+12.9668P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                975
_reflns_number_total             1113
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            Dy2SiO5_24042023_30d-950deg.cif
_cod_data_source_block           dy2sio5_24042023_30d-950deg
_cod_database_code               1570569
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         Dy2SiO5
_cell_oxdiff_angle_alpha         89.991(3)
_cell_oxdiff_angle_beta          102.743(3)
_cell_oxdiff_angle_gamma         89.993(3)
_cell_oxdiff_length_a            10.4622(4)
_cell_oxdiff_length_b            6.7478(3)
_cell_oxdiff_length_c            12.5383(4)
_cell_oxdiff_measurement_reflns_used 5635
_cell_oxdiff_volume              863.37(6)
_reflns_odcompleteness_completeness 99.37
_reflns_odcompleteness_iscentric 1
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_olex2_refinement_description
;
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_shelx_res_checksum              36110
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_olex2_exptl_crystal_mounting_method 'Mitegent loop in Cargille oil'
_olex2_submission_special_instructions 'No special instructions were received'