#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007921.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_9007921
loop_
_publ_author_name
'Johnston, M. G.'
'Harrison, W. T. A.'
_publ_section_title
;
 Manganese tellurite, beta-MnTe2O5
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i59
_journal_page_last               i61
_journal_paper_doi               10.1107/S1600536802010231
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     MnTe2O5
_chemical_formula_sum            'Mn 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                   7.3114
_cell_length_b                   10.9216
_cell_length_c                   6.1711
_cell_formula_units_Z            4
_cell_volume                     492.776
_database_code_amcsd             0010379
_exptl_crystal_density_diffrn    5.259
_cod_original_formula_sum        'Mn Te2 O5'
_cod_database_code               9007921
_amcsd_formula_title             MnTe2O5
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
Mn 0.01060 0.00920 0.00970 0.00000 0.00179 0.00000
Te 0.00758 0.00798 0.01142 -0.00053 -0.00007 -0.00102
O1 0.01910 0.01150 0.02320 0.00000 -0.01240 0.00000
O2 0.01630 0.01170 0.01930 -0.00200 0.00200 -0.00640
O3 0.01160 0.01560 0.01360 -0.00690 -0.00250 0.00320
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn 0.00000 0.05618 0.25000 0.00986
Te 0.13033 0.34443 0.48324 0.00899
O1 0.00000 0.43500 0.25000 0.01790
O2 0.19430 0.21037 0.31520 0.01580
O3 0.34390 0.43404 0.45210 0.01360
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010379
