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_1570571
_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         'Ho2 O5 Si'
_chemical_formula_sum            'Ho2 O5 Si'
_chemical_formula_weight         437.95
_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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Olex2 1.3
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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)
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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_ambient_temperature      293
_diffrn_detector_area_resol_mean 8.1188
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 1 omega -32.00 61.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
 - -7.9235 57.0000 -90.0000 93

 2 omega -57.00 13.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
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 3 omega -76.00 16.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
 - -7.9235 -57.0000 120.0000 92

 4 omega -18.00 75.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
 - 6.0485 57.0000 0.0000 93

 5 omega -25.00 45.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
 - 6.0485 -99.0000 -180.0000 70

 6 omega -25.00 45.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
 - 6.0485 -99.0000 60.0000 70

 7 omega -32.00 48.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
 - -7.9235 57.0000 -30.0000 80

 8 omega -31.00 63.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
 - -7.9235 38.0000 -120.0000 94

 9 omega -76.00 16.00 1.0000 90.0000
omega____ theta____ kappa____ phi______ frames
 - -7.9235 -57.0000 -180.0000 92
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_max       16
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_diffrn_reflns_number            10695
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.436
_diffrn_reflns_theta_min         4.010
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    36.942
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39203
_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)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'dull pinkish yellow'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   pinkish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    6.806
_exptl_crystal_description       block
_exptl_crystal_F_000             1504
_exptl_crystal_preparation       'Crushed single crystal boule'
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_exptl_crystal_size_max          0.06
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_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   1.157
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     44
_refine_ls_number_reflns         1129
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+18.8300P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
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_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1041
_reflns_number_total             1129
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            Ho2SiO5_08032023.cif
_cod_data_source_block           ho2sio5_08032023
_cod_database_code               1570571
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'Ho2 Si O5'
_reflns_odcompleteness_completeness 99.47
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
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_shelx_res_checksum              11579
_shelx_hkl_checksum              31901
_olex2_submission_special_instructions 'No special instructions were received'