JSmol

CIF file

#(C) 2022 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_252800-ICSD
_database_code_ICSD 252800
_audit_creation_date 2017-08-01
_audit_update_record 2020-08-01
_chemical_name_common Tin
_chemical_formula_structural Sn
_chemical_formula_sum Sn1
_chemical_name_structure_type Î²âˆ’Sn#Sn(tI4)
_exptl_crystal_density_diffrn 7.28
_diffrn_ambient_temperature 298.
_citation_title

;
Synthesis, structure and geometrically frustrated magnetism of the layered
oxide-stannide compounds Fe (Fe3-x Mnx) Si2 Sn7 O16
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Dalton Transactions' 2016 45 9689 9694 DTARAF
loop_
_citation_author_citation_id
_citation_author_name
primary 'Allison, M.C.'
primary 'Avdeev, M.'
primary 'Schmid, S.'
primary 'Liu, S.'
primary 'Soehnel, T.'
primary 'Ling, C.D.'
_cell_length_a 5.8346(7)
_cell_length_b 5.8346(7)
_cell_length_c 3.1817(6)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 108.31
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'I 41/a m d Z'
_space_group_IT_number 141
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'y+1/4, x+3/4, -z+1/4'
2 'y+1/4, -x+3/4, -z+1/4'
3 'x, y+1/2, -z'
4 'x, -y, -z'
5 '-y+3/4, x+3/4, -z+1/4'
6 '-y+3/4, -x+3/4, -z+1/4'
7 '-x, y+1/2, -z'
8 '-x, -y, -z'
9 '-y+3/4, -x+1/4, z+3/4'
10 '-y+3/4, x+1/4, z+3/4'
11 '-x, -y+1/2, z'
12 '-x, y, z'
13 'y+1/4, -x+1/4, z+3/4'
14 'y+1/4, x+1/4, z+3/4'
15 'x, -y+1/2, z'
16 'x, y, z'
17 'y+3/4, x+1/4, -z+3/4'
18 'y+3/4, -x+1/4, -z+3/4'
19 'x+1/2, y, -z+1/2'
20 'x+1/2, -y+1/2, -z+1/2'
21 '-y+1/4, x+1/4, -z+3/4'
22 '-y+1/4, -x+1/4, -z+3/4'
23 '-x+1/2, y, -z+1/2'
24 '-x+1/2, -y+1/2, -z+1/2'
25 '-y+1/4, -x+3/4, z+1/4'
26 '-y+1/4, x+3/4, z+1/4'
27 '-x+1/2, -y, z+1/2'
28 '-x+1/2, y+1/2, z+1/2'
29 'y+3/4, -x+3/4, z+1/4'
30 'y+3/4, x+3/4, z+1/4'
31 'x+1/2, -y, z+1/2'
32 'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sn0+ 0
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
Sn1 Sn0+ 4 a 0. 0.25 0.875 0. 1.
#End of TTdata_252800-ICSD