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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011375.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_9011375
loop_
_publ_author_name
'Hums, E.'
'Burzlaff, H.'
'Rothammel, W.'
_publ_section_title
;
 Structure of MoAs2O7: corrigendum and addendum
 Note: AnisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              641
_journal_page_last               642
_journal_paper_doi               10.1107/S0108270192008096
_journal_volume                  49
_journal_year                    1993
_chemical_formula_structural     MoAs2O7
_chemical_formula_sum            'As2 Mo O7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.07
_cell_angle_gamma                90
_cell_length_a                   16.14
_cell_length_b                   4.550
_cell_length_c                   7.788
_cell_formula_units_Z            4
_cell_volume                     563.117
_exptl_crystal_density_diffrn    4.220
_cod_original_formula_sum        'Mo As2 O7'
_cod_database_code               9011375
loop_
_symmetry_equiv_pos_as_xyz
x,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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mo 0.09911 0.00050 0.15991 0.00970
As1 0.05763 0.46060 0.82515 0.00920
As2 0.21193 0.57570 0.61560 0.01180
O1 0.12600 0.25820 0.96690 0.01210
O2 0.10510 0.58700 0.66470 0.01410
O3 0.12510 0.22000 0.33380 0.01680
O4 0.02520 0.76020 0.92660 0.00920
O5 0.97550 0.26000 0.72840 0.01270
O6 0.18370 0.78400 0.16380 0.01830
O7 0.23690 0.20700 0.67580 0.01800
_cod_duplicate_entry 2001930
