#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/15/9011516.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_9011516
loop_
_publ_author_name
'Alkemper, J.'
'Fuess, H.'
_publ_section_title
;
 The crystal structures of NaMgPO₄, Na₂CaMg(PO₄)₂ and 
Na₁₈Ca₁₃Mg₅(PO₄)₁₈:
 new examples for glaserite related structures
;
_journal_issue                   5
_journal_name_full               'Zeitschrift f"ur Kristallographie'
_journal_page_first              282
_journal_page_last               287
_journal_paper_doi               10.1524/zkri.1998.213.5.282
_journal_volume                  213
_journal_year                    1998
_chemical_formula_structural     Na18Ca13Mg5(PO4)18
_chemical_formula_sum            'Ca13 Mg5 Na18 O72 P18'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.811
_cell_length_b                   15.811
_cell_length_c                   21.499
_cell_formula_units_Z            3
_cell_volume                     4654.441
_database_code_amcsd             0011080
_exptl_crystal_density_diffrn    2.960
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ca13 Na18 Mg5 P18 O72'
_cod_database_code               9011516
_amcsd_formula_title             Na18Ca13Mg5(PO4)18
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 0.00000 0.00000 0.00000 1.00000
Ca2 0.30910 0.00000 0.00000 1.00000
Na3 0.31920 0.00000 0.50000 0.75000
Ca3 0.31920 0.00000 0.50000 0.25000
Na4 0.21570 -0.21570 0.26540 0.40000
Ca4 0.21570 -0.21570 0.26540 0.60000
Na5 0.10730 -0.10730 0.10520 1.00000
Na6 0.21630 -0.21630 -0.11930 0.85000
Ca6 0.22110 -0.22110 -0.04620 0.15000
Mgl 0.00000 0.00000 0.36050 1.00000
Mg2 0.00000 0.00000 0.50000 1.00000
Mg3 0.00000 0.00000 0.16090 1.00000
P1 0.22170 -0.22170 0.09910 1.00000
O1 0.27790 -0.27790 0.10190 1.00000
O2 0.19830 -0.19830 0.16400 1.00000
O3 0.28770 0.41170 0.06670 1.00000
P2 0.11100 -0.11100 -0.07240 1.00000
O4 0.12050 -0.12050 0.00260 1.00000
O5 0.05640 -0.05640 -0.08620 1.00000
O6 0.26820 0.21380 0.10020 1.00000
P3 0.43290 -0.43290 -0.07090 1.00000
O7 0.39720 -0.39720 -0.01570 1.00000
O8 0.40340 -0.40340 -0.13010 1.00000
O9A 0.58490 0.53080 0.04740 0.30000
O9B 0.62240 0.54500 0.07600 0.70000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011080
