Accidental formation of Gd~4~(SiO~4~)~2~OTe: crystal structure and spectroscopic properties
Daszkiewicz, Marek; Gulay, Lubomir D.; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S2053229615011651

data_2019997
_publ_section_title
;
 Accidental formation of Gd~4~(SiO~4~)~2~OTe: crystal structure and
 spectroscopic properties
;
_journal_coeditor_code           FP3011
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229615011651
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'Gd4 (Si O4)2 O Te'
_chemical_formula_moiety         'Gd4 O Te, (SiO4)2'
_chemical_formula_sum            'Gd4 O9 Si2 Te'
_chemical_formula_weight         956.78
_chemical_name_systematic
;
Tetragadolinium bis[tetraoxidosilicate(IV)] oxide telluride
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
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;
CrysAlis CCD (Oxford Diffraction, 2007)
;
_computing_data_collection
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CrysAlis CCD (Oxford Diffraction, 2007)
;
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CrysAlis RED (Oxford Diffraction, 2007)
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_computing_molecular_graphics
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DIAMOND (Brandenburg, 2009)
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SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009)
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SHELXL2014 (Sheldrick, 2015)
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SHELXS97 (Sheldrick, 2008)
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_exptl_absorpt_coefficient_mu    31.703
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(CrysAlis CCD; Oxford Diffraction, 2007)
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       prism
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;
SHELXL2014 (Sheldrick, 2015)
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0199
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0125P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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