data_2002652
_chemical_name_systematic
;
Copper(I) holmium tungsten oxide (0.25/1.25/2/8)
;
_chemical_formula_structural       'Cu0.25 Ho1.25 W2 O8'
_chemical_formula_sum              'Cu.25 Ho1.25 O8 W2'
_publ_section_title
;
Synthese und Kristallstruktur von Cu0.25 Ho1.25 W2 O8
;
loop_
_publ_author_name
  'Szillat, H'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    49
_journal_year                      1994
_journal_page_first                1145
_journal_page_last                 1149
_cell_length_a                     19.12299(500)
_cell_length_b                     5.613(2)
_cell_length_c                     11.479(5)
_cell_angle_alpha                  90
_cell_angle_beta                   111.44(3)
_cell_angle_gamma                  90
_cell_volume                       1146.9
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  Ho3+   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
  W1    W6+    8 f 0.1878 0.1309(1) 0.2875(1) 1.  0 d
  W2    W6+    8 f 0.0572 0.8081(1) 0.0923(1) 1.  0 d
  Ho1   Ho3+   8 f 0.1467 0.6856(1) 0.4563(1) 1.  0 d
  Cu1   Cu1+   4 e 0. 0.7200(3) 0.75 0.5  0 d
  Ho2   Ho3+   4 e 0. 0.7200(3) 0.75 0.5  0 d
  O1    O2-    8 f 0.1028(6) 0.8850(1) 0.2704(8) 1.  0 d
  O2    O2-    8 f 0.2334(6) 0.9733(11) 0.4396(7) 1.  0 d
  O3    O2-    8 f 0.2555(7) 0.3190(11) 0.2649(8) 1.  0 d
  O4    O2-    8 f 0.1329(6) 0.3528(11) 0.3259(8) 1.  0 d
  O5    O2-    8 f 0.1199(6) 0.5934(11) 0.0798(8) 1.  0 d
  O6    O2-    8 f 0.1324(5) 0.0963(11) 0.1102(8) 1.  0 d
  O7    O2-    8 f 0.9863(6) 0.6246(12) 0.1155(8) 1.  0 d
  O8    O2-    8 f 0.0166(6) 0.8923(12) 0.9220(8) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_B_11
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_22
_atom_site_aniso_B_23
_atom_site_aniso_B_33
  W1    0.67(2) 0.06 0.61(2) 0.99(2) 0.18(2) 0.93(2)
  W2    0.65(2) 0.22(2) 0.70(2) 1.10(2) 0.41(2) 1.30(2)
  Ho1   0.70(3) -0.06(2) 0.56(2) 0.75(2) .00(2) 0.62(2)
  Cu1   0.86(5) 0. 0.51(4) 1.09(5) 0. 2.24(6)
  Ho2   0.86(5) 0. 0.51(4) 1.09(5) 0. 2.24(6)
  O1    2.34(13) -1.07(13) 1.00(12) 2.77(13) -0.29(13) 1.99(13)
  O2    2.51(13) -0.02(13) 1.05(12) 2.04(13) 0.43(12) 1.89(12)
  O3    2.96(13) 0.02(13) 1.08(13) 2.27(13) 0.07(13) 2.42(13)
  O4    2.10(13) 0.24(12) 1.72(12) 1.70(13) -0.62(12) 2.81(13)
  O5    1.91(13) -0.23(13) 0.94(12) 2.66(13) -0.19(13) 2.77(13)
  O6    1.99(13) 0.37(13) 1.05(12) 2.69(13) 0.32(13) 2.05(13)
  O7    2.69(13) -0.96(13) 2.23(12) 3.92(13) 0.06(13) 2.45(12)
  O8    3.23(13) 2.32(13) 1.84(12) 5.73(13) 1.19(13) 1.86(13)
_refine_ls_R_factor_all            0.057