#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/19/9011951.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_9011951
loop_
_publ_author_name
'Dickens, B.'
'Brown, W. E.'
_publ_section_title
;
 The crystal structure of Ca7Mg9(Ca,Mg)2(PO4)12
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              79
_journal_page_last               104
_journal_paper_doi               10.1007/BF01099079
_journal_volume                  16
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca8.02 Mg9.98 O48 P12'
_chemical_name_mineral           Stanfieldite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.63
_cell_angle_gamma                90
_cell_length_a                   22.8410
_cell_length_b                   9.994
_cell_length_c                   17.088
_cell_formula_units_Z            4
_cell_volume                     3845.761
_database_code_amcsd             0015640
_exptl_crystal_density_diffrn    2.942
_cod_original_formula_sum        'Ca8.02 Mg9.98 P12 O48'
_cod_database_code               9011951
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 0.00000 0.10430 0.25000 1.00000
Ca2 0.18664 0.34813 0.43359 1.00000
Ca3 0.33977 0.45242 0.06518 1.00000
Ca4 0.41099 0.08359 0.39193 1.00000
Ca 0.06623 0.10430 0.08842 0.51000
Mg 0.06623 0.10430 0.08842 0.49000
Mg1 0.00000 0.57340 0.25000 1.00000
Mg2 0.23620 0.13340 0.13010 1.00000
Mg3 0.39329 0.35220 0.26416 1.00000
Mg4 0.23448 0.38240 0.22490 1.00000
Mg5 0.42031 0.09060 0.05163 1.00000
P1 0.31679 0.38196 0.39954 1.00000
P2 0.16277 0.11525 0.27448 1.00000
P3 0.36202 0.08020 0.21366 1.00000
P4 0.19428 0.37852 0.02436 1.00000
P5 -0.00032 0.35040 0.09497 1.00000
P6 0.47412 0.36320 0.11792 1.00000
O1 0.25670 0.41580 0.34480 1.00000
O2 0.30150 0.32030 0.47490 1.00000
O3 0.35710 0.29220 0.36020 1.00000
O4 0.34500 0.52210 0.41920 1.00000
O5 0.10110 0.12110 0.22280 1.00000
O6 0.16270 0.16270 0.35930 1.00000
O7 0.20790 0.18990 0.23410 1.00000
O8 0.18190 -0.03540 0.28250 1.00000
O9 0.37740 0.00340 0.14250 1.00000
O10 0.41950 0.15320 0.25740 1.00000
O11 0.34130 -0.00930 0.27640 1.00000
O12 0.31720 0.19100 0.18600 1.00000
O13 0.24420 0.41760 -0.02160 1.00000
O14 0.22340 0.33080 0.10740 1.00000
O15 0.15220 0.27340 -0.02040 1.00000
O16 0.15740 0.50580 0.03030 1.00000
O17 -0.05270 0.39710 0.03160 1.00000
O18 0.05680 0.34790 0.05720 1.00000
O19 -0.00940 0.21110 0.12680 1.00000
O20 0.01050 0.45510 0.16120 1.00000
O21 0.42880 0.40610 0.16900 1.00000
O22 0.45010 0.42040 0.03590 1.00000
O23 0.53400 0.42630 0.15300 1.00000
O24 0.48140 0.20950 0.11780 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015640
