#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008103.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
_chemical_name_systematic          'Lithium yttrium molybdate'
_chemical_formula_structural       'Li Y (Mo O4)2'
_chemical_formula_sum              'Li Mo2 O8 Y'
_publ_section_title
;
Structure of Lithium Yttrium Bismolybdate(VI)
;
loop_
_publ_author_name
  'le=Page, Y'
  'Strobel, P'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    36
_journal_year                      1980
_journal_page_first                1919
_journal_page_last                 1920
_cell_length_a                     6.7296(6)
_cell_length_b                     10.2792(7)
_cell_length_c                     5.1916(5)
_cell_angle_alpha                  100.26(1)
_cell_angle_beta                   113.73(1)
_cell_angle_gamma                  71.94(1)
_cell_volume                       312.0
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.35
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  Y3+    3.000
  Li1+   1.000
  O2-   -2.000
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_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Mo1   0.0091(5) -0.0027(4) 0.0036(4) 0.0086(5) -0.0004(4) 0.0079(4)
  Mo2   0.0130(5) -0.0018(4) 0.0039(4) 0.0080(5) 0.0009(4) 0.0098(5)
  Y1    0.0232(7) -0.0060(6) 0.0082(6) 0.0233(7) 0.0009(6) 0.0213(6)
  O1    0.0146(46) -0.0043(49) 0.0062(36) 0.0167(49) .0000(36) 0.0158(43)
  O2    0.0116(43) -0.0033(37) 0.0063(34) 0.0138(46) 0.0006(34) 0.0126(40)
  O3    0.0256(54) -0.0052(45) 0.0161(44) 0.0192(54) -0.0049(42) 0.0299(53)
  O4    0.0161(46) -0.0035(38) 0.0013(36) 0.0106(45) 0.0004(36) 0.0169(44)
  O5    0.0217(49) -0.0004(39) 0.0085(37) 0.0108(45) 0.0019(35) 0.0151(43)
  O6    0.0178(47) -0.0030(39) 0.0086(37) 0.0143(48) 0.0041(36) 0.0181(44)
  O7    0.0168(48) -0.0044(43) 0.0055(38) 0.0255(56) 0.0025(40) 0.0172(45)
  O8    0.0292(54) -0.0099(43) 0.0085(39) 0.0156(49) 0.0003(37) 0.0151(43)
_refine_ls_R_factor_all            0.06