#------------------------------------------------------------------------------
#$Date: 2023-09-28 00:46:41 +0200 (Thu 28 de Sep de 2023) $
#$Revision: 286564 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/40/7714041.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7714041
loop_
_publ_author_name
'Garg, Alka Bansal'
'Lopez, Sinhue'
'Botella Vives, Pablo'
'Gomis, Oscar'
'Bandiello, Enrico'
'Osman, Hussien'
'Popescu, Catalin'
'Errandonea, Daniel'
_publ_section_title
;
 Exploring the crystal structure and properties of ytterbium
 orthoantimonate under high pressure
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02480F
_journal_year                    2023
_chemical_formula_moiety         'O4 Sb Yb'
_chemical_formula_structural     YbSbO4
_chemical_formula_sum            'O4 Sb Yb'
_chemical_formula_weight         358.7876
_chemical_name_common            'Ytterbium orthoantimonate'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_angle_alpha                90
_cell_angle_beta                 98.7780(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5046(4)
_cell_length_b                   5.2713(4)
_cell_length_c                   7.3682(4)
_cell_measurement_pressure       100000000
_cell_measurement_reflns_used    427
_cell_measurement_temperature    298
_cell_measurement_theta_max      120
_cell_measurement_theta_min      10
_cell_volume                     288.06(3)
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 1
_diffrn_measurement_device_type  'Rigaku D/max diffractometer'
_diffrn_radiation_wavelength     1.5406
_diffrn_reflns_av_R_equivalents  0.05460
_diffrn_reflns_number            427
_exptl_absorpt_coefficient_mu    129.311
_exptl_crystal_density_diffrn    8.273
_exptl_crystal_description       powder
_exptl_crystal_F_000             612.0
_cod_data_source_file            d3dt02480f1.cif
_cod_data_source_block           YbSbO4
_cod_original_cell_volume        288.07(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7714041
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Yb 1.0 0.3562(5) 0.21570(5) 0.1097(5) Uiso 0.012700 Yb
Sb 1.0 0.15270(4) 0.72220(4) 0.30550(4) Uiso 0.012700 Sb
O1 1.0 0.0728(9) 0.11280(9) 0.69430(9) Uiso 0.012700 O
O2 1.0 0.1611(9) 0.6199(9) 0.5625(9) Uiso 0.012700 O
O3 1.0 0.3294(9) 0.5096(9) 0.8799(9) Uiso 0.012700 O
O4 1.0 0.3793(9) 0.5424(9) 0.3290(9) Uiso 0.012700 O
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O4 Sb O1 77.83(19)
O4 Sb O2 83.1(3)
O4 Sb O3 69.9(2)
O2 Sb O4 83.1(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sb O1 4.4057(17)
Sb O2 1.961(7)
Sb O3 4.383(6)
Sb O4 1.931(7)
