#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (Thu 25 de Apr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/57/9005773.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_9005773
loop_
_publ_author_name
'Nord, A. G.'
'Stefanidis, T.'
_publ_section_title
;
 Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2
 solid solutions
 Sample: Ni/Mg-3c
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              10
_journal_page_last               15
_journal_paper_doi               10.1007/BF01204320
_journal_volume                  10
_journal_year                    1983
_chemical_formula_structural     (Ni.45Mg.55)3(PO4)2
_chemical_formula_sum            'Mg1.64 Ni1.36 O8 P2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.74
_cell_angle_gamma                90
_cell_length_a                   10.177
_cell_length_b                   4.713
_cell_length_c                   5.889
_cell_formula_units_Z            2
_cell_volume                     282.438
_database_code_amcsd             0007355
_exptl_crystal_density_diffrn    3.641
_cod_original_formula_sum        '(Ni1.36 Mg1.64) P2 O8'
_cod_database_code               9005773
_amcsd_formula_title             (Ni.45Mg.55)3(PO4)2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
NiM1 0.00000 0.00000 0.50000 0.68000 0.00887
MgM1 0.00000 0.00000 0.50000 0.32000 0.00887
NiM2 0.27600 -0.01300 0.24500 0.34000 0.00887
MgM2 0.27600 -0.01300 0.24500 0.66000 0.00887
P 0.09600 0.42300 0.25300 1.00000 0.02533
O1 0.11400 0.74100 0.27000 1.00000 0.01013
O2 0.46100 0.18700 0.24500 1.00000 0.01013
O3 0.17800 0.30200 0.05400 1.00000 0.01013
O4 0.17200 0.27500 0.46000 1.00000 0.01013
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007355
