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data_8237-ICSD
_database_code_ICSD 8237
_audit_creation_date 1980-01-01
_audit_update_record 2012-02-01
_chemical_name_common 'Dilithium zinc silicate - gamma II'
_chemical_formula_structural 'Li2 Zn (Si O4)'
_chemical_formula_sum 'Li2 O4 Si1 Zn1'
_chemical_name_structure_type Li2ZnSiO4
_exptl_crystal_density_diffrn 3.41
_citation_title 'Structure of dilithium zinc silicate gamma II-Li2 Zn Si O4'
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 B: Structural Crystallography and Crystal
Chemistry
; 1979 35 2678 2680 ACBCAR
loop_
_citation_author_citation_id
_citation_author_name
primary 'Yamaguchi, H.'
primary 'Akatsuka, K.'
primary 'Setoguchi, M.'
_cell_length_a 6.262(3)
_cell_length_b 10.602(4)
_cell_length_c 5.021(4)
_cell_angle_alpha 90.
_cell_angle_beta 90.51(5)
_cell_angle_gamma 90.
_cell_volume 333.33
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P 1 21/n 1'
_space_group_IT_number 14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x+1/2, y+1/2, -z+1/2'
2 '-x, -y, -z'
3 'x+1/2, -y+1/2, z+1/2'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+ 2
Si4+ 4
Li1+ 1
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_B_iso_or_equiv
_atom_site_occupancy
Zn1 Zn2+ 4 e 0.4986(1) 0.1647(1) 0.3095(1) . 1.
Si1 Si4+ 4 e 0.2474(3) 0.4124(2) 0.3135(3) . 1.
Li1 Li1+ 4 e -0.0088(19) 0.1603(12) 0.3033(12) 1. 1.
Li2 Li1+ 4 e 0.2381(21) 0.0765(12) 0.7157(25) 1.3 1.
O1 O2- 4 e 0.2484(8) 0.4092(4) 0.6378(9) . 1.
O2 O2- 4 e 0.2551(7) 0.5564(4) 0.2072(9) . 1.
O3 O2- 4 e 0.0329(7) 0.3414(4) 0.2033(9) . 1.
O4 O2- 4 e 0.4596(7) 0.3387(4) 0.2094(9) . 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_B_11
_atom_site_aniso_B_22
_atom_site_aniso_B_33
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_23
Zn1 Zn2+ 4.2(2) 6.2(3) 3.9(3) 0.2(1) 0.1(1) -0.1(1)
Si1 Si4+ 3.6(1) 6.3(6) 5.6(8) 0.3(1) 0.1(2) -0.1(4)
O1 O2- 6.5(4) 12.9(8) 6.00(23) 0.4(2) 0.25(5) 2.40(7)
O2 O2- 5.10(11) 10.7(8) 7.20(22) 0.1(2) -0.25(5) -0.55(6)
O3 O2- 3.7(1) 5.40(16) 4.1(2) 0.6(2) 0.25(5) 0.50(6)
O4 O2- 3.8(1) 7.30(16) 6.10(21) 0.5(2) 0.25(5) 0.03(11)
#End of TTdata_8237-ICSD