
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_260001-ICSD
_database_code_ICSD 260001
_audit_creation_date 2009-02-01
_audit_update_record 2011-02-01
_chemical_name_common 'Lithium dysprosium tetrakis(phosphate(V))'
_chemical_formula_structural 'Li Dy (P O3)4'
_chemical_formula_sum 'Dy1 Li1 O12 P4'
_chemical_name_structure_type LiNd(PO3)4
_exptl_crystal_density_diffrn 3.65
_diffrn_ambient_temperature 295.
_citation_title 'Li Dy (P O3)4'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica, Section E: Structure Reports Online' 2008 64
i45 i45 ACSEBH
loop_
_citation_author_citation_id
_citation_author_name
primary 'Chehimi-Moumen, F.'
primary 'Ferid, M.'
_cell_length_a 16.2690(10)
_cell_length_b 7.0236(3)
_cell_length_c 9.5781(8)
_cell_angle_alpha 90.
_cell_angle_beta 126.106(3)
_cell_angle_gamma 90.
_cell_volume 884.25
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'C 1 2/c 1'
_space_group_IT_number 15
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 '-x, -y, -z'
3 '-x, y, -z+1/2'
4 'x, y, z'
5 'x+1/2, -y+1/2, z+1/2'
6 '-x+1/2, -y+1/2, -z'
7 '-x+1/2, y+1/2, -z+1/2'
8 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Dy3+ 3
P5+ 5
O2- -2
Li1+ 1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
Dy1 Dy3+ 4 e 0.5 0.79714(6) 0.75 0.01295(18) 1
P1 P5+ 8 f 0.36225(14) 0.5523(2) 0.8849(2) 0.0108(4) 1
P2 P5+ 8 f 0.35333(14) 0.1513(3) 0.8039(2) 0.0124(4) 1
O1 O2- 8 f 0.3870(4) 0.7158(6) 0.8178(7) 0.0148(11) 1
O2 O2- 8 f 0.4353(4) 0.5025(7) 1.0727(6) 0.0142(10) 1
O3 O2- 8 f 0.2555(4) 0.5780(7) 0.8535(7) 0.0141(11) 1
O4 O2- 8 f 0.3421(4) 0.3778(7) 0.7655(6) 0.0169(11) 1
O5 O2- 8 f 0.4287(4) 0.0852(7) 0.7730(7) 0.0147(10) 1
O6 O2- 8 f 0.3726(4) 0.1159(6) 0.9727(6) 0.0180(12) 1
Li1 Li1+ 4 e 0.5 0.292(2) 0.75 0.012(3) 1
#End of TTdata_260001-ICSD