#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002672.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_2002672
loop_
_publ_author_name
'Szillat, H'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Zur Darstellung und Kristallstruktur eines neuen Kupfer-Antimon-
Oxomolybdats: Cu Sb Mo2 O8
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              717
_journal_page_last               720
_journal_volume                  50
_journal_year                    1995
_chemical_formula_structural     'Cu Sb (Mo2 O8)'
_chemical_formula_sum            'Cu Mo2 O8 Sb'
_chemical_name_systematic        'Copper antimony dimolybdate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.42(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.554(2)
_cell_length_b                   4.916(1)
_cell_length_c                   21.50998
_cell_volume                     586.3
_refine_ls_R_factor_all          0.081
_cod_database_code               2002672
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,-z
-x,-y,-z
1/2+x,-y,z
1/2+x,1/2+y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2-y,1/2-z
x,1/2-y,1/2+z
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
Sb1 Sb3+ 4 e 0.75 0.19233(4) 0. 1. 0 d
Mo1 Mo6+ 8 f 0.35072(3) 0.25607(3) 0.136680(7) 1. 0 d
Cu1 Cu1+ 4 c 0.75 0.25 0.25 1. 0 d
O1 O2- 8 f 0.4286(2) 0.0909(3) 0.05154(6) 1. 0 d
O2 O2- 8 f 0.1945(3) -0.0418(3) 0.15971(6) 1. 0 d
O3 O2- 8 f 0.4130(3) 0.4147(3) 0.20943(7) 1. 0 d
O4 O2- 8 f 0.1090(3) 0.4599(3) 0.10318(7) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sb3+ 3.000
Mo6+ 6.000
Cu1+ 1.000
O2- -2.000
