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#$Date: 2016-11-14 06:42:56 +0200 (Mon, 14 Nov 2016) $
#$Revision: 188425 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/64/9016407.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_9016407
loop_
_publ_author_name
'Averbuch-Pouchot, M. T.'
'Durif, A.'
'Guitel, J. C.'
_publ_section_title
;
 Existence d'un nouvel anion condense: Cr2PO10.
 Structures cristallines de deux phosphochromates de baryum:
 BaHCr2PO10*H2O et BaHCr2PO10*3H2O
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1431
_journal_page_last               1435
_journal_paper_doi               10.1107/S0567740877006232
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Ba Cr2 O13 P'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.80
_cell_angle_beta                 107.14
_cell_angle_gamma                89.04
_cell_length_a                   10.189
_cell_length_b                   8.207
_cell_length_c                   7.749
_cell_volume                     583.971
_database_code_amcsd             0009588
_exptl_crystal_density_diffrn    2.731
_cod_original_formula_sum        'Ba Cr2 P O13'
_cod_database_code               9016407
_amcsd_formula_title             'Ba Cr2 H7 O13 P'
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 0.16728 0.23536 0.16567
Cr1 0.59190 0.40230 0.30270
Cr2 -0.00390 0.71490 0.38400
P1 0.79980 0.14270 0.20210
O1 0.90700 0.12360 0.10340
O2 0.70210 0.97180 0.10730
O3 0.71220 0.29330 0.17450
O4 0.85130 0.17040 0.41800
O5 0.32430 0.51700 0.47500
O6 0.53120 0.55000 0.21300
O7 0.47070 0.26390 0.27100
O8 0.86480 0.75100 0.46100
O9 0.98580 0.79330 0.21700
O10 0.01330 0.51090 0.31100
O11 0.28550 0.96480 0.30500
O12 0.23780 0.51200 0.06400
O13 0.55860 0.89850 0.29400