#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007890.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007890
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_structural     LiInSiO4
_chemical_formula_sum            'In Li O4 Si'
_space_group_IT_number           62
_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_length_a                   4.8448
_cell_length_b                   10.5043
_cell_length_c                   6.0634
_cell_formula_units_Z            4
_cell_volume                     308.574
_exptl_crystal_density_diffrn    4.603
_cod_original_formula_sum        'Li In Si O4'
_cod_database_code               9007890
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Li1 0.01900 0.02200 0.01800 -0.00200 -0.00600 -0.00400
In2 0.00651 0.00460 0.00373 0.00013 0.00000 0.00000
Si 0.00650 0.00420 0.00440 -0.00030 0.00000 0.00000
O1 0.00740 0.00580 0.00770 -0.00100 0.00000 0.00000
O2 0.00770 0.00420 0.01070 -0.00120 0.00000 0.00000
O3 0.00850 0.00950 0.00570 0.00180 0.00080 0.00120
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li1 0.00000 0.00000 0.00000 0.01960
In2 0.97826 0.27571 0.25000 0.00495
Si 0.42410 0.08917 0.25000 0.00502
O1 0.75350 0.09830 0.25000 0.00700
O2 0.29480 -0.05370 0.25000 0.00750
O3 0.27170 0.16396 0.04220 0.00790
_cod_duplicate_entry 2013357
