#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007965.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_9007965
loop_
_publ_author_name
'Sun, T.'
'Shen, G.'
'Wang, X.'
'Wang, R.'
'Wei, J.'
'Shen, D.'
_publ_section_title
;
 CsLa(PO3)4
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i28
_journal_page_last               i30
_journal_paper_doi               10.1107/S160053680400131X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     CsLa(PO3)4
_chemical_formula_sum            'Cs La O12 P4'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.377
_cell_angle_gamma                90
_cell_length_a                   7.218
_cell_length_b                   9.254
_cell_length_c                   8.864
_cell_formula_units_Z            2
_cell_volume                     584.163
_database_code_amcsd             0010423
_exptl_crystal_density_diffrn    3.341
_cod_original_formula_sum        'Cs La P4 O12'
_cod_database_code               9007965
_amcsd_formula_title             CsLa(PO3)4
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cs 0.32599 0.06604 -0.17489 0.03065
La 0.20222 -0.09932 0.30272 0.00782
P1 0.91680 0.17812 0.07312 0.00950
P2 0.69456 -0.02300 0.22824 0.01050
P3 0.64740 0.02504 0.54399 0.01020
P4 0.93930 -0.20722 0.62514 0.01180
O1 0.85670 0.25110 -0.07430 0.01900
O2 0.96070 0.30210 0.19930 0.01790
O3 0.07370 0.07220 0.08940 0.01240
O4 0.73050 0.10600 0.11700 0.01610
O5 0.49500 -0.06650 0.18250 0.01700
O6 0.84330 -0.13330 0.23290 0.01810
O7 0.72310 0.05730 0.38860 0.01910
O8 0.46260 -0.04480 0.51100 0.02290
O9 0.66240 0.15840 0.63490 0.02970
O10 0.78750 -0.08750 0.63330 0.04420
O11 0.85210 -0.34990 0.59410 0.02920
O12 0.07700 -0.15120 0.53490 0.02570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010423
