#------------------------------------------------------------------------------
#$Date: 2017-10-30 10:28:29 +0100 (lun 30 de oct de 2017) $
#$Revision: 202408 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/78/1547818.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_1547818
loop_
_publ_author_name
'Gleissner, J.'
'Errandonea, D.'
_publ_section_title
;
 Monazite-type SrCrO4 under compression
;
_journal_name_full               'Phys. Rev B'
_journal_page_first              134108
_journal_page_last               134108
_journal_volume                  94
_journal_year                    2016
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr O4 Sr'
_space_group_IT_number           88
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.9700
_cell_length_b                   4.9700
_cell_length_c                   11.844
_cell_volume                     292.557
_exptl_crystal_density_diffrn    3.953
_pd_phase_name                   scheelite_SrCrO4
_cod_data_source_file            scheelite_SrCrO4.cif
_cod_data_source_block           9014695
_cod_original_cell_volume        292.5575
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Sr Cr O4'
_cod_database_code               1547818
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+1/4, -x+3/4, -z+3/4'
'y+3/4, -x+3/4, z+3/4'
'-y+1/4, x+1/4, -z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, -z+1/2'
'-x, -y+1/2, z'
'x, y+1/2, -z'
'-y+1/4, x+3/4, z+3/4'
'y+3/4, -x+1/4, -z+1/4'
'y+1/4, -x+1/4, z+1/4'
'-y+3/4, x+3/4, -z+3/4'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Sr 1.0 0.000000 0.250000 0.625000 Uiso 1.000000 Sr
Cr 1.0 0.000000 0.250000 0.125000 Uiso 1.000000 Cr
O 1.0 0.237300 0.112600 0.045100 Uiso 1.000000 O
