
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_248138-ICSD
_database_code_ICSD 248138
_audit_creation_date 2010-08-01
_audit_update_record 2012-02-01
_chemical_name_common 'Lithium samarium tetrakis(catena-phosphate(V))'
_chemical_formula_structural 'Li Sm (P O3)4'
_chemical_formula_sum 'Li1 O12 P4 Sm1'
_chemical_name_structure_type LiNd(PO3)4
_exptl_crystal_density_diffrn 3.48
_diffrn_ambient_temperature 298.
_citation_title 'Lithium samarium polyphosphate, Li Sm (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' 2010 66 i3
i3 ACSEBH
loop_
_citation_author_citation_id
_citation_author_name
primary 'Zhao Dan'
primary 'Li Feifei'
primary 'Cheng Wen Dan'
primary 'Zhang Hao'
_cell_length_a 16.379(2)
_cell_length_b 7.0499(9)
_cell_length_c 9.6936(12)
_cell_angle_alpha 90.
_cell_angle_beta 126.138(2)
_cell_angle_gamma 90.
_cell_volume 903.96
_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
Li1+ 1
Sm3+ 3
P5+ 5
O2- -2
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
Li1 Li1+ 4 e 0.5 0.2975(12) 0.75 0.014(2) 1
Sm1 Sm3+ 4 e 0.5 0.20102(3) 0.25 0.00541(15) 1
P1 P5+ 8 f 0.36163(7) 0.55515(13) 0.33744(11) 0.0057(2) 1
P2 P5+ 8 f 0.35188(7) 0.15529(14) 0.40335(12) 0.0056(2) 1
O1 O2- 8 f 0.3857(2) 0.7182(4) 0.4524(4) 0.0117(6) 1
O2 O2- 8 f 0.3410(2) 0.3787(4) 0.4149(3) 0.0094(5) 1
O3 O2- 8 f 0.4267(2) 0.0930(4) 0.5830(3) 0.0104(5) 1
O4 O2- 8 f 0.3705(2) 0.1147(4) 0.2737(3) 0.0104(5) 1
O5 O2- 8 f 0.43430(19) 0.5038(4) 0.2978(3) 0.0094(5) 1
O6 O2- 8 f 0.25564(19) 0.5836(4) 0.1557(3) 0.0091(5) 1
#End of TTdata_248138-ICSD