data_2002581
_chemical_name_systematic          'Copper(I) yttrium bis(molybdate)'
_chemical_formula_structural       'Cu Y (Mo O4)2'
_chemical_formula_sum              'Cu Mo2 O8 Y'
_publ_section_title
;
Synthese und Struktur einer neuen Form von Cu Y Mo2 O8
;
loop_
_publ_author_name
  'Krueger, T F'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    609
_journal_year                      1992
_journal_page_first                55
_journal_page_last                 58
_cell_length_a                     10.160(1)
_cell_length_b                     9.701(5)
_cell_length_c                     14.527(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1431.8
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_Int_Tables_number        61
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  Y3+    3.000
  Cu1+   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+   8 c 0.2211(2) 0.0024(2) 0.4445(1) 1.  0 d
  Mo2   Mo6+   8 c 0.6052(2) 0.3314(2) 0.8465(2) 1.  0 d
  Y1    Y3+    8 c 0.4672(2) 0.2232(2) 0.6052(2) 1.  0 d
  Cu1   Cu1+   8 c 0.1830(3) 0.8094(4) 0.3056(3) 1.  0 d
  O1    O2-    8 c 0.3691(17) 0.0937(20) 0.0250(13) 1.  0 d
  O2    O2-    8 c 0.6184(16) 0.1017(17) 0.1262(11) 1.  0 d
  O3    O2-    8 c 0.9137(21) 0.0093(23) 0.8277(14) 1.  0 d
  O4    O2-    8 c 0.1785(17) 0.1081(19) 0.8733(12) 1.  0 d
  O5    O2-    8 c 0.0723(18) 0.2098(20) 0.0395(13) 1.  0 d
  O6    O2-    8 c 0.7317(19) 0.7762(19) 0.8204(13) 1.  0 d
  O7    O2-    8 c 0.5052(19) 0.7573(19) 0.2307(12) 1.  0 d
  O8    O2-    8 c 0.1727(20) 0.8881(21) 0.0035(14) 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   0.0043(6) -0.0002(8) .0000(8) 0.0053(6) -0.0001(9) 0.0132(8)
  Mo2   0.0047(7) 0.0005(8) -0.0005(9) 0.0071(7) -0.0029(8) 0.0121(8)
  Y1    0.0042(7) -0.0014(9) .0000(9) 0.0067(8) 0.0014(9) 0.0118(10)
  Cu1   0.0118(14) -0.0027(14) -0.0020(14) 0.0111(18) -0.0068(15) 0.0287(19)
_refine_ls_R_factor_all            0.06