#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/81/1008103.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_1008103
loop_
_publ_author_name
'le Page, Y'
'Strobel, P'
_publ_section_title
;
Structure of Lithium Yttrium Bismolybdate(VI)
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1919
_journal_page_last               1920
_journal_paper_doi               10.1107/S0567740880007467
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     'Li Y (Mo O4)2'
_chemical_formula_sum            'Li Mo2 O8 Y'
_chemical_name_systematic        'Lithium yttrium molybdate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.26(1)
_cell_angle_beta                 113.73(1)
_cell_angle_gamma                71.94(1)
_cell_formula_units_Z            2
_cell_length_a                   6.7296(6)
_cell_length_b                   10.2792(7)
_cell_length_c                   5.1916(5)
_cell_volume                     312.0
_exptl_crystal_density_meas      4.35
_refine_ls_R_factor_all          0.06
_cod_database_code               1008103
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Mo1 Mo6+ 2 i 0.2999(2) 0.6796(1) 0.4633(2) 1. 0 d
Mo2 Mo6+ 2 i 0.1541(2) 0.1998(1) 0.2368(2) 1. 0 d
Y1 Y3+ 2 i 0.2274(2) 0.4402(2) -0.1513(3) 1. 0 d
Li1 Li1+ 2 i 0.3865(43) 0.8852(28) 0.0590(51) 1. 0 d
O1 O2- 2 i 0.4347(14) 0.5714(9) 0.2375(17) 1. 0 d
O2 O2- 2 i 0.1164(14) 0.5930(9) 0.4996(16) 1. 0 d
O3 O2- 2 i 0.3122(17) 0.0686(10) 0.085(2) 1. 0 d
O4 O2- 2 i 0.4985(15) 0.7068(9) 0.8004(17) 1. 0 d
O5 O2- 2 i 0.1762(15) 0.8369(9) 0.3191(17) 1. 0 d
O6 O2- 2 i 0.0422(15) 0.3595(9) 0.0570(17) 1. 0 d
O7 O2- 2 i 0.3244(15) 0.228(1) -0.4041(18) 1. 0 d
O8 O2- 2 i -0.0559(16) 0.1378(10) 0.2462(18) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mo6+ 6.000
Y3+ 3.000
Li1+ 1.000
O2- -2.000
