#------------------------------------------------------------------------------
#$Date: 2022-10-28 03:25:31 +0200 (Fri 28 de Oct de 2022) $
#$Revision: 278852 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/57/7245738.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_7245738
loop_
_publ_author_name
'Ling, Shaokun'
'Chen, Chang'
'Meng, Kai'
'Yan, Yifeng'
'Ming, Junyun'
'Liao, Sen'
'Huang, Yingheng'
_publ_section_title
;
 A crystal defect led zero thermal quenching
 β-NaYF4 : Eu3+,Dy3+ red emitting phosphor
;
_journal_issue                   47
_journal_name_full               'RSC Advances'
_journal_page_first              30803
_journal_page_last               30816
_journal_paper_doi               10.1039/D2RA05674G
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'Eu0.02 F Na0.53 Y0.45'
_chemical_formula_weight         74.12
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m'
_audit_creation_date             2022-06-08T09:08
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2022-06-08T09:08  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   5.985309(27)
_cell_length_b                   5.985309
_cell_length_c                   3.52072(5)
_cell_volume                     109.2283(16)
_computing_structure_refinement  GSAS
_pd_block_id                     2022-06-08T09:08|NYFED-1_phase1|NYFED-22.6.8||
_pd_phase_name                   'from F:/GSAS/MyWork/NYFE-5.cif'
_refine_ls_goodness_of_fit_all   1.38
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.19
_refine_ls_shift/su_mean         0.03
_cod_data_source_file            d2ra05674g1.cif
_cod_data_source_block           NYFED-1_phase_1
_cod_original_cell_volume        109.2280(20)
_cod_database_code               7245738
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 x-y,+x,+z+1/2
3 -y,x-y,+z
4 -x,-y,+z+1/2
5 y-x,-x,+z
6 +y,y-x,+z+1/2
-1 -x,-y,-z
-2 y-x,-x,-z+1/2
-3 +y,y-x,-z
-4 +x,+y,-z+1/2
-5 x-y,+x,-z
-6 -y,x-y,-z+1/2
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Na Na1 0.0 0.0 0.11413(10) 0.71 Uiso 0.02295(29) 4
Y+ Y1 0.6667 0.3333 0.25 0.755 Uiso 0.05405(14) 2
Y+ Y2 0.0 0.0 0.11413(10) 0.29 Uiso 0.02295(29) 4
Na Na2 0.6667 0.3333 0.25 0.18 Uiso 0.05405(14) 2
Eu Eu1 0.6667 0.3333 0.25 0.065 Uiso 0.05405(14) 2
F- F1 0.3090(4) 0.2795(4) 0.25 1.0 Uiso 0.2063(12) 6
loop_
_atom_type_symbol
_atom_type_number_in_cell
Na 3.2
Y+ 2.67
Eu 0.13
F- 6.0
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
? ? ? ? ? ? ? ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
? ? ? ? ? ?
