#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007933.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_9007933
loop_
_publ_author_name
'Guesmi, A.'
'Driss, A.'
_publ_section_title
;
 Sodium cobalt(II) hydrogendiphosphate, NaCoHP2O7
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i108
_journal_page_last               i110
_journal_paper_doi               10.1107/S1600536802019116
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     NaCoHP2O7
_chemical_formula_sum            'Co H Na O7 P2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.600
_cell_angle_beta                 87.935
_cell_angle_gamma                96.140
_cell_formula_units_Z            2
_cell_length_a                   6.5629
_cell_length_b                   6.6430
_cell_length_c                   6.5309
_cell_volume                     261.354
_exptl_crystal_density_diffrn    3.264
_cod_duplicate_entry             2201250
_cod_original_formula_sum        'Na Co P2 O7 H'
_cod_database_code               9007933
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na 0.65820 0.75940 0.30200 0.65000 0.02420
Na* 0.61300 0.74040 0.22100 0.35000 0.02300
Co 0.14557 0.38935 0.28318 1.00000 0.00892
P1 0.12068 0.86406 0.16792 1.00000 0.00787
P2 0.64276 0.28014 0.25330 1.00000 0.00711
O1 0.82740 0.44640 0.36300 1.00000 0.00990
O2 0.11390 0.09600 0.33120 1.00000 0.01240
O3 0.46430 0.39130 0.22150 1.00000 0.01300
O4 0.21020 0.72020 0.27640 1.00000 0.01280
O5 0.92290 0.74750 0.04890 1.00000 0.01160
O6 0.71170 0.12090 0.01360 1.00000 0.01110
O7 0.58900 0.12720 0.37910 1.00000 0.01110
H 0.26200 0.78000 0.39700 1.00000 0.05000
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_aniso_labels 10200 2024-08-01 14:09:44Z saulius
;
2024-08-02T12:21:08+03:00
;Changed the following '_atom_site_aniso_label' values:
'Na'' -> 'Na*'
;
