#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu 18 de Feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008933.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008933
loop_
_publ_author_name
'Coing-Boyat, J'
'Sayetat, F'
'Apostolov, A'
_publ_section_title
;
Caracteristiques cristallographiques, proprietes et structure
magnetiques de Tb P O4 dans la gamme 1.5 K - 300 K
;
_journal_coden_ASTM              JOPQAG
_journal_name_full               'Journal de Physique (Paris)'
_journal_page_first              1165
_journal_page_last               1174
_journal_paper_doi               10.1051/jphys:0197500360110116500
_journal_volume                  36
_journal_year                    1975
_chemical_compound_source        synthetic
_chemical_formula_structural     'Tb (P O4)'
_chemical_formula_sum            'O4 P Tb'
_chemical_name_mineral           'Xenotime (Tb)'
_chemical_name_systematic        'Terbium phosphate(V)'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9414(2)
_cell_length_b                   6.9414(2)
_cell_length_c                   6.0704(4)
_cell_volume                     292.5
_exptl_crystal_density_meas      5.75
_refine_ls_R_factor_all          0.029
_cod_original_sg_symbol_H-M      'I 41/a m d S'
_cod_database_code               1008933
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,1/2+y,1/4-z
-x,1/2-y,1/4-z
-x,y,z
x,-y,z
-x,1/2+y,1/4-z
x,1/2-y,1/4-z
y,x,-z
-y,-x,-z
y,1/2+x,1/4+z
-y,1/2-x,1/4+z
-y,x,-z
y,-x,-z
-y,1/2+x,1/4+z
y,1/2-x,1/4+z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2+x,y,3/4-z
1/2-x,-y,3/4-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,y,3/4-z
1/2+x,-y,3/4-z
1/2+y,1/2+x,1/2-z
1/2-y,1/2-x,1/2-z
1/2+y,x,3/4+z
1/2-y,-x,3/4+z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,x,3/4+z
1/2+y,-x,3/4+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Tb1 Tb3+ 4 a 0. 0. 0. 1. 0 d
P1 P5+ 4 b 0. 0. 0.5 1. 0 d
O1 O2- 16 h 0. 0.1726(8) 0.3432(6) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Tb3+ 3.000
P5+ 5.000
O2- -2.000
