#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007999.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_9007999
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 Redetermination of MgTe2O5
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i237
_journal_page_last               i239
_journal_paper_doi               10.1107/S1600536805033751
_journal_volume                  61
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_structural     MgTe2O5
_chemical_formula_sum            'Mg O5 Te2'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.2391
_cell_length_b                   10.6580
_cell_length_c                   5.9880
_cell_formula_units_Z            4
_cell_volume                     462.000
_database_code_amcsd             0010460
_exptl_crystal_density_diffrn    5.169
_cod_original_formula_sum        'Mg Te2 O5'
_cod_database_code               9007999
_amcsd_formula_title             MgTe2O5
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-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
Mg 0.00940 0.00920 0.01040 0.00000 -0.00140 0.00000
Te 0.00683 0.00788 0.01098 0.00041 -0.00014 -0.00088
O1 0.01380 0.01090 0.01890 0.00100 -0.00220 -0.00490
O2 0.00980 0.01230 0.01380 0.00510 0.00150 0.00160
O3 0.01750 0.01060 0.01860 0.00000 0.00920 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg 0.00000 0.44331 0.25000 0.00966
Te 0.13335 0.15456 0.01000 0.00856
O1 0.19064 0.29457 0.18160 0.01450
O2 0.35061 0.06582 0.04870 0.01200
O3 0.00000 0.06250 0.25000 0.01560
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010460
