#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/33/2013357.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_2013357
loop_
_publ_author_name
'Redhammer, G. J.'
'Roth, G.'
_publ_section_title
;
LiInSiO₄: a new monovalent--trivalent olivine
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              i38
_journal_page_last               i40
_journal_paper_doi               10.1107/S0108270103006346
_journal_volume                  59
_journal_year                    2003
_chemical_formula_moiety         'Li In Si O4'
_chemical_formula_sum            'In Li O4 Si'
_chemical_formula_weight         213.85
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2ab'
_space_group_name_H-M_alt        'P b n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.8448(9)
_cell_length_b                   10.5043(19)
_cell_length_c                   6.0634(13)
_cell_measurement_temperature    293(2)
_cell_volume                     308.57(10)
_database_code_amcsd             0010325
_exptl_crystal_density_diffrn    4.603
_cod_database_code               2013357
_amcsd_formula_title             LiInSiO4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Li 0 0 0 0.0196(17) Uani d S 1 . . Li
In 0.97826(5) 0.27571(2) 0.25 0.00495(12) Uani d S 1 . . In
Si 0.4241(2) 0.08917(8) 0.25 0.00502(18) Uani d S 1 . . Si
O1 0.7535(5) 0.0983(2) 0.25 0.0070(4) Uani d S 1 . . O
O2 0.2948(5) -0.0537(2) 0.25 0.0075(4) Uani d S 1 . . O
O3 0.2717(4) 0.16396(15) 0.0422(3) 0.0079(3) Uani d . 1 . . O
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Li O2 5 2.1578(18) no
Li O2 . 2.1578(18) yes
Li O3 . 2.1829(18) yes
Li O3 5 2.1829(18) no
Li O1 1_455 2.1888(18) yes
Li O1 5_655 2.1888(18) no
Li Si . 2.7197(9) ?
Li Si 5 2.7197(9) ?
Li Li 2_554 3.0317(6) ?
Li Li 2 3.0317(6) ?
Li In 1_455 3.2705(5) ?
Li In 5_655 3.2705(5) ?
In O2 7_765 2.103(3) yes
In O3 3 2.1312(18) yes
In O3 8_666 2.1312(18) no
In O1 . 2.158(2) yes
In O3 6_656 2.2331(18) yes
In O3 1_655 2.2331(18) ?
In Si 1_655 2.9163(11) ?
In Li 1_655 3.2705(5) ?
In Li 2_655 3.2705(5) ?
Si O1 . 1.599(3) yes
Si O2 . 1.626(3) yes
Si O3 6_556 1.6581(19) yes
Si O3 . 1.6581(19) yes
Si Li 2 2.7197(9) ?
Si In 1_455 2.9163(11) ?
O1 Li 2_655 2.1888(18) ?
O1 Li 1_655 2.1888(18) ?
O2 In 7_755 2.103(3) ?
O2 Li 2 2.1578(18) ?
O3 In 3_455 2.1312(18) ?
O3 In 1_455 2.2331(18) ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010325
