#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002704.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_2002704
_chemical_name_systematic          'Copper(I) europium bis(molybdate)'
_chemical_formula_structural       'Cu Eu (Mo O4)2'
_chemical_formula_sum              'Cu Eu Mo2 O8'
_publ_section_title
;
Synthese und Kristallstruktur von Cu Eu Mo2 O8 und Cu Ho Mo2 O8
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Szillat, H'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_volume                    204
_journal_year                      1994
_journal_page_first                231
_journal_page_last                 235
_cell_length_a                     10.2857(14)
_cell_length_b                     9.7770(77)
_cell_length_c                     14.6697(50)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1475.2
_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+   5.750
  Eu3+   3.000
  Cu1+   1.250
  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 0.2222(1) 0.0016(1) 0.4436(1) 1.  0 d
  Mo2   Mo6+   8 c 0.6048(1) 0.3297(1) 0.8466(1) 1.  0 d
  Eu1   Eu3+   8 c 0.4672 0.2236 0.605 1.  0 d
  Cu1   Cu1+   8 c 0.1821(1) 0.8073(1) 0.3067(1) 1.  0 d
  O1    O2-    8 c 0.3662(4) 0.0910(5) 0.0235(4) 1.  0 d
  O2    O2-    8 c 0.6186(4) 0.0997(4) 0.1249(4) 1.  0 d
  O3    O2-    8 c 0.9108(5) 0.0048(5) 0.8349(4) 1.  0 d
  O4    O2-    8 c 0.1803(4) 0.1104(4) 0.8727(4) 1.  0 d
  O5    O2-    8 c 0.0763(4) 0.2129(5) 0.0395(4) 1.  0 d
  O6    O2-    8 c 0.7354(4) 0.7763(4) 0.8199(4) 1.  0 d
  O7    O2-    8 c 0.5063(4) 0.7552(4) 0.2272(4) 1.  0 d
  O8    O2-    8 c 0.1709(4) 0.8897(4) 0.9975(4) 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   0.0104(2) -0.0002(2) .0000(2) 0.0100(3) -0.0002(3) 0.0046(3)
  Mo2   0.0107(2) 0.0016(2) .0000(2) 0.0139(3) -0.0025(3) 0.0038(3)
  Eu1   0.0096(1) -0.0004(1) -0.0001(1) 0.0101(2) 0.0001(2) 0.0032(2)
  Cu1   0.0183(4) -0.0030(4) -0.0015(4) 0.0298(4) -0.0097(4) 0.0128(4)
  O1    0.0181(6) 0.0030(6) -0.0068(6) 0.0190(6) -0.0045(6) 0.0162(6)
  O2    0.0197(6) 0.0059(6) -0.0025(6) 0.0154(6) 0.0008(6) 0.0038(6)
  O3    0.0312(6) -0.0064(7) 0.0022(7) 0.0223(7) -0.0068(7) 0.0190(7)
  O4    0.0129(6) 0.0013(6) 0.0016(6) 0.0146(6) 0.0035(6) 0.0109(6)
  O5    0.0172(6) 0.0007(6) -0.0010(6) 0.0411(6) 0.0011(6) 0.0116(6)
  O6    0.0178(6) -0.0044(6) 0.0019(6) 0.0199(6) -0.0023(6) 0.0065(6)
  O7    0.0157(6) -0.0018(6) -0.0004(6) 0.0208(6) 0.0017(6) 0.0075(6)
  O8    0.0232(6) -0.0037(6) -0.0008(6) 0.0179(6) -0.0003(6) 0.0172(6)
_refine_ls_R_factor_all            0.034
_cod_database_code 2002704
_journal_paper_doi 10.1016/0925-8388(94)90096-5