#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/46/9004697.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004697
loop_
_publ_author_name
'Ercit, T. S.'
'Foord, E. E.'
'Fitzpatrick, J. J.'
_publ_section_title
;
 Ordonezite from the Theodoso Soto Mine, Sapioris, Durango, Mexico:
 New data and structure refinement
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1207
_journal_page_last               1210
_journal_paper_doi               10.2113/gscanmin.40.4.1207
_journal_volume                  40
_journal_year                    2002
_chemical_compound_source
'Theodoso Soto Mine, Sapioris, Durango, Mexico'
_chemical_formula_sum            'O6 Sb2 Zn'
_chemical_name_mineral           Ordonezite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6638
_cell_length_b                   4.6638
_cell_length_c                   9.263
_cell_formula_units_Z            2
_cell_volume                     201.480
_database_code_amcsd             0005790
_exptl_crystal_density_diffrn    6.674
_cod_original_formula_sum        'Zn Sb2 O6'
_cod_database_code               9004697
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Zn 0.00650 0.00650 0.00869 -0.00022 0.00000 0.00000
Sb 0.00320 0.00320 0.00478 -0.00011 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn 0.00000 0.00000 0.00000 0.00747
Sb 0.00000 0.00000 0.33220 0.00380
O1 0.31500 0.31500 0.00000 0.00507
O2 0.30400 0.30400 0.32500 0.00633
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005790
