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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/66/9016660.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_9016660
loop_
_publ_author_name
'Boudin, S.'
'Grandin, A.'
'Borel, M.'
'Leclaire, A.'
'Raveau, B.'
_publ_section_title
;
 A trivalent vanadium monophosphate with a tunnel structure: Cd3V4(PO4)6
 _cod_database_code 1001600
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              43
_journal_page_last               49
_journal_paper_doi               10.1006/jssc.1994.1133
_journal_volume                  110
_journal_year                    1994
_chemical_formula_sum            'Cd1.5 O12 P3 V2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.66
_cell_angle_gamma                90
_cell_length_a                   12.446
_cell_length_b                   12.547
_cell_length_c                   6.487
_cell_formula_units_Z            4
_cell_volume                     913.106
_database_code_amcsd             0013807
_exptl_crystal_density_diffrn    4.040
_cod_duplicate_entry             1001600
_cod_original_formula_sum        'Cd1.5 V2 P3 O12'
_cod_database_code               9016660
_amcsd_formula_title             Cd3V4(PO4)6
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd1 0.50000 0.25198 0.25000 1.00000
Cd2 0.02080 -0.00030 0.46370 0.25000
V1 0.27756 0.15402 0.36760 1.00000
P1 0.24780 0.39270 0.13950 1.00000
P2 0.00000 0.21890 0.25000 1.00000
O1 0.32000 0.16150 0.09500 1.00000
O2 0.23180 0.32130 0.32040 1.00000
O3 0.29880 0.00520 0.35800 1.00000
O4 0.44570 0.20960 0.53460 1.00000
O5 0.09450 0.14570 0.22900 1.00000
O6 0.38210 0.39790 0.20200 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013807
