#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/16/9001649.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_9001649
loop_
_publ_author_name
'Ni, Y.'
'Hughes, J. M.'
'Mariano, A. N.'
_publ_section_title
;
 Crystal chemistry of the monazite and xenotime structures
 Pr(PO4)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              21
_journal_page_last               26
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'O4 P Pr'
_chemical_name_mineral           Monazite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.53
_cell_angle_gamma                90
_cell_length_a                   6.7596
_cell_length_b                   6.9812
_cell_length_c                   6.4344
_cell_formula_units_Z            4
_cell_volume                     295.213
_database_code_amcsd             0001701
_exptl_crystal_density_diffrn    5.307
_cod_original_formula_sum        'Pr P O4'
_cod_database_code               9001649
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pr 0.28177 0.15862 0.09988 0.00445
P 0.30400 0.16300 0.61270 0.00456
O1 0.24980 0.00510 0.44410 0.00874
O2 0.38160 0.33270 0.49900 0.00849
O3 0.47440 0.10460 0.80570 0.00798
O4 0.12600 0.21500 0.71200 0.00785
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001701
