#------------------------------------------------------------------------------
#$Date: 2018-01-15 03:05:57 +0100 (lun 15 de ene de 2018) $
#$Revision: 205215 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/59/9015975.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_9015975
loop_
_publ_author_name
'Effenberger, H.'
'Pertlik, F.'
_publ_section_title
;
 Four monazite type structures: comparison of SrCrO4, SrSeO4,
 PbCrO4 (crocoite), and PbSeO4
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full               'Zeitschrift für Kristallographie'
_journal_page_first              75
_journal_page_last               83
_journal_paper_doi               10.1524/zkri.1986.176.12.75
_journal_volume                  176
_journal_year                    1986
_chemical_compound_source        'Dundas, Tasmania'
_chemical_formula_sum            'Cr O4 Pb'
_chemical_name_mineral           Crocoite
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.43
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.127
_cell_length_b                   7.438
_cell_length_c                   6.799
_cell_volume                     351.971
_exptl_crystal_density_diffrn    6.099
_cod_original_formula_sum        'Pb Cr O4'
_cod_database_code               9015975
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2+x,1/2-y,1/2+z
3 1/2-x,1/2+y,1/2-z
4 -x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.01840 0.01630 0.01520 -0.00160 0.00520 -0.00110
Cr 0.00930 0.00920 0.00880 -0.00070 0.00270 -0.00140
O1 0.03100 0.01800 0.01900 0.00300 0.00600 0.00400
O2 0.01700 0.01700 0.02400 0.00100 0.00900 -0.00600
O3 0.01800 0.02000 0.02200 -0.00500 -0.00300 -0.00100
O4 0.01000 0.02900 0.01900 -0.00100 0.00600 -0.00200
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.22130 0.14545 0.39692
Cr 0.20107 0.16364 0.88184
O1 0.25380 0.00420 0.05740
O2 0.12450 0.34250 0.98900
O3 0.02950 0.09990 0.68580
O4 0.38590 0.21410 0.78190
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019487
