data_2101675
_publ_section_title
;
 Distortion Characteristics Across the Structural Phase Transition in
 (Cu~1{-~x}Znₓ)WO₄
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              102
_journal_page_last               112
_journal_paper_doi               10.1107/S0108768196010403
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Cu0.1 O4 W Zn0.9'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.7507(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.69114(6)
_cell_length_b                   5.72608(7)
_cell_length_c                   4.92536(6)
_cell_volume                     132.293(3)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.227
_[local]_cod_data_source_file    ha0150.cif
_[local]_cod_data_source_block   90
_[local]_cod_cif_authors_sg_H-M  'P 2/c'
_[local]_cod_chemical_formula_sum_orig 'Cu0.10 O4 W1 Zn0.90'
_cod_original_cell_volume        132.283(3)
_cod_database_code               2101675
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x,-y,1/2+z
-x,+y,-1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn 0.5 0.6823(6) 0.25
W 0.0 0.1811(5) 0.25
O1 0.2545(4) 0.3781(4) 0.4014(5)
O2 0.2152(4) 0.8945(4) 0.4376(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn O2 . 2.037(2) no
Zn O1 . 2.222(3) no
Zn O1 2_666 2.084(3) no
W O2 . 2.135(3) no
W O2 2_566 1.902(2) no
W O1 . 1.795(2) no
