#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/43/9014364.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_9014364
loop_
_publ_author_name
'Grzechnik, A.'
_publ_section_title
;
 Crystal structure of Ca3(VO4)2 synthesized at 11 GPa and 1373 K
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              523
_journal_page_last               524
_journal_paper_doi               10.1016/S1293-2558(02)01287-6
_journal_volume                  4
_journal_year                    2002
_chemical_compound_source        'synthetic at 11 GPa and 1373 K'
_chemical_formula_sum            'Ca3 O8 V2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.949
_cell_angle_gamma                90
_cell_length_a                   9.6715
_cell_length_b                   5.43276
_cell_length_c                   7.0713
_cell_formula_units_Z            2
_cell_volume                     331.201
_database_code_amcsd             0019756
_exptl_crystal_density_diffrn    3.511
_cod_original_formula_sum        'Ca3 V2 O8'
_cod_database_code               9014364
_amcsd_formula_title             Ca3(VO4)2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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
Ca1 0.00000 0.00000 0.00000
Ca2 0.79970 0.00000 0.40020
V 0.59260 0.00000 0.78200
O1 0.73400 0.00000 0.70700
O2 0.67400 0.00000 0.04200
O3 0.51770 0.26900 0.30580
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019756
